Matches any text strings used to describe a molecule.
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
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Found 1190 results

Search term: C49H94O6 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3313895

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H94O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-26-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3
C49H94O6779.2671323600
474899
InChI=1/C49H94O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-46(55-49(52)43-40-37-34-31-26-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3
C49H94O6779.2671202000
473232

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H94O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3
C49H94O6779.26719800
57258638

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H94O6/c1-4-7-10-13-16-18-20-22-24-26-28-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-15-12-9-6-3)55-49(52)43-40-37-34-31-29-27-25-23-21-19-17-14-11-8-5-2/h46H,4-45H2,1-3H3
C49H94O6779.26719700
330483

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H94O6/c1-4-7-10-13-16-19-21-23-24-26-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-27-25-22-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m1/s1
C49H94O6779.26718600
571095

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H94O6/c1-4-7-10-13-16-19-21-23-24-26-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-22-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m1/s1
C49H94O6779.267181000
30779204

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H94O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-26-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m1/s1
C49H94O6779.26716700
29369370
InChI=1/C49H94O6/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3/h46H,4-45H2,1-3H3
C49H94O6779.26715600
29369373

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H94O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m1/s1
C49H94O6779.26714400
30777682
InChI=1/C49H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-24-21-18-15-12-9-6-3/h46H,4-45H2,1-3H3
C49H94O6779.26714400
30791067

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H94O6/c1-4-7-10-13-16-19-21-23-24-26-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-22-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3
C49H94O6779.26714400
58167091

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H94O6/c1-4-7-10-13-16-19-21-23-24-26-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-27-25-22-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m0/s1
C49H94O6779.26714500
59664472

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H94O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-28-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)55-49(52)43-40-37-34-31-27-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m1/s1
C49H94O6779.26714500
59665927

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H94O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-31-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-30-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m1/s1
C49H94O6779.26714500
59666627

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H94O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-27-28-31-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)55-49(52)43-40-37-34-30-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m1/s1
C49H94O6779.26714500
59669183

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H94O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-27-28-31-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-30-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m1/s1
C49H94O6779.26714500
59666828

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H94O6/c1-5-7-9-11-13-14-15-22-26-30-34-38-42-49(52)55-46(43-53-47(50)40-36-32-27-12-10-8-6-2)44-54-48(51)41-37-33-29-25-23-20-18-16-17-19-21-24-28-31-35-39-45(3)4/h45-46H,5-44H2,1-4H3/t46-/m1/s1
C49H94O6779.26713400
59666831

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C49H94O6/c1-5-8-10-12-13-14-15-16-17-18-19-20-21-22-26-29-33-36-40-47(50)53-43-46(55-49(52)42-38-31-11-9-6-2)44-54-48(51)41-37-34-30-27-24-23-25-28-32-35-39-45(4)7-3/h45-46H,5-44H2,1-4H3/t45?,46-/m0/s1
C49H94O6779.26713400
59666841

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C49H94O6/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-34-39-47(50)53-42-46(55-49(52)41-36-31-25-23-27-32-37-44(3)4)43-54-48(51)40-35-30-26-24-28-33-38-45(5)7-2/h44-46H,6-43H2,1-5H3/t45?,46-/m0/s1
C49H94O6779.26713400
59651630

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H94O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m0/s1
C49H94O6779.26713400
12345

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