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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
Additional Filters

Found 21 results

Search term: KVTPRMVXYZKLIG (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21270076

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8+,16-14+,25-22+/t17-,18+,19+,20+,21+,23-,24+,26+,28-,31-,32-/m1/s1
C32H44N2O9600.6998192112215
16736035

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8+,16-14+,25-22+
C32H44N2O9600.69985600
65014372

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8+,16-14+,25-22+/t17?,18-,19-,20-,21-,23+,24-,26-,28+,31+,32+/m0/s1
C32H44N2O9600.69983200
62993069

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8+,16-14+,25-22+/t17-,18?,19+,20+,21+,23-,24+,26+,28+,31-,32-/m1/s1
C32H44N2O9600.69982200
28499146

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8-,16-14+,25-22+
C32H44N2O9600.69982200
34527169

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8+,16-14+,25-22-/t17-,18+,19+,20+,21+,23+,24+,26+,28+,31+,32+/m1/s1
C32H44N2O9600.69981100
24839033

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8u,16-14u,25-22+
C32H44N2O9600.69981100
71360818

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8+,16-14+,25-22+/t17-,18+,19?,20+,21+,23-,24+,26+,28+,31-,32-/m1/s1
C32H44N2O9600.69981100
79715600

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8-,16-14+,25-22+/t17-,18-,19+,20-,21-,23?,24+,26-,28-,31-,32-/m0/s1
C32H44N2O9600.69981100
79715932

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8+,16-14-,25-22+/t17-,18+,19+,20+,21+,23?,24+,26+,28-,31+,32-/m1/s1
C32H44N2O9600.69981100
98643222

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8+,16-14+,25-22+/t17-,18+,19+,20+,21+,23-,24+,26+,28?,31-,32-/m1/s1
C32H44N2O9600.69981100
113589924

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8+,16-14+,25-22+/t17?,18-,19-,20-,21-,23+,24-,26-,28+,31+,32+/m1/s1
C32H44N2O9600.69981100
113608333

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8+,16-14u,25-22u/t17?,18-,19+,20+,21+,23+,24-,26+,28-,31-,32-/m1/s1
C32H44N2O9600.69981100
129156366

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8+,16-14+,25-22+/t17?,18-,19-,20-,21-,23-,24-,26-,28+,31+,32+/m0/s1
C32H44N2O9600.69981100
129308685

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8+,16-14+,25-22+/t17-,18+,19+,20+,21+,23?,24+,26+,28-,31-,32-/m1/s1
C32H44N2O9600.69981100
129310324

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8+,16-14u,25-22u/t17-,18+,19+,20+,21+,23+,24+,26+,28+,31+,32+/m1/s1
C32H44N2O9600.69981100
12

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