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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 60 results

Search term: C48H80NO8P (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24767104

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,32-35,46H,6-13,18-19,24-25,30-31,36-45H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t46-/m1/s1
C48H80NO8P830.1245191800
24766818

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,29,31,35,37,46H,6-7,9,11-13,18-19,23,27-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,37-35-/t46-/m1/s1
C48H80NO8P830.12457700
24766914

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,29-32,46H,6-8,10,12-13,18-19,23,27-28,33-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,32-30-/t46-/m1/s1
C48H80NO8P830.12456600
24767073

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26-29,33,35,46H,6-8,10,12-13,18-19,24-25,30-32,34,36-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,35-33-/t46-/m1/s1
C48H80NO8P830.12456600
24767169

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-29,32,34,46H,6-7,9,11-13,18-19,24-25,30-31,33,35-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-/t46-/m1/s1
C48H80NO8P830.12456600
24767295

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,28,30-31,33,46H,6-8,10,12-13,18-19,23,27,29,32,34-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,33-31-/t46-/m1/s1
C48H80NO8P830.12456600
24767391

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,28,30,34,36,46H,6-7,9,11-13,18-19,23,27,29,31-33,35,37-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,36-34-/t46-/m1/s1
C48H80NO8P830.12456600
24767326

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,28,30-31,33-34,36,46H,6-13,18-19,23,27,29,32,35,37-45H2,1-5H3/b16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,33-31-,36-34-/t46-/m1/s1
C48H80NO8P830.12455500
24767327

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,28,30,34,36,46H,6-8,10,12-13,18-19,23,27,29,31-33,35,37-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,36-34-/t46-/m1/s1
C48H80NO8P830.12455500
24767359

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,28,30-31,33,46H,6-7,9,11-13,18-19,23,27,29,32,34-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,33-31-/t46-/m1/s1
C48H80NO8P830.12455500
24767360

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,28,30,46H,6-7,12-13,18-19,23,27,29,31-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-/t46-/m1/s1
C48H80NO8P830.12455500
24767105

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26-29,32,34,46H,6-8,10,12-13,18-19,24-25,30-31,33,35-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-/t46-/m1/s1
C48H80NO8P830.12455500
24767137

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26-29,33,35,46H,6-7,9,11-13,18-19,24-25,30-32,34,36-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,35-33-/t46-/m1/s1
C48H80NO8P830.12455500
24767138

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,46H,6-7,12-13,18-19,24-25,30-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-/t46-/m1/s1
C48H80NO8P830.12455500
4945575

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,32-35,46H,6-13,18-19,24-25,30-31,36-45H2,1-5H3/b16-14-,17-15+,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t46-/m1/s1
C48H80NO8P830.12455300
24767040

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,26-29,32-35,46H,6-8,10,12-14,16,18-19,24-25,30-31,36-45H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t46-/m1/s1
C48H80NO8P830.12455500
24766849

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,29-32,35,37,46H,6-13,18-19,23,27-28,33-34,36,38-45H2,1-5H3/b16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,32-30-,37-35-/t46-/m1/s1
C48H80NO8P830.12455500
24766850

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,29-32,46H,6-7,9,11-13,18-19,23,27-28,33-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,32-30-/t46-/m1/s1
C48H80NO8P830.12455500
24766882

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,29,31,35,37,46H,6-8,10,12-13,18-19,23,27-28,30,32-34,36,38-45H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,37-35-/t46-/m1/s1
C48H80NO8P830.12455500
24766883

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,29,31,46H,6-7,12-13,18-19,23,27-28,30,32-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-/t46-/m1/s1
C48H80NO8P830.12455500
123

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