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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 18 results

Search term: C32H46O16 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8093627

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23+,24+,25+,26+,27-,28-,29+,30+,31+,32+/m0/s1
C32H46O16686.6985054866
30829994

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23-,24-,25-,26-,27+,28+,29-,30-,31-,32-/m1/s1
C32H46O16686.698111400
58829999

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23+,24+,25+,26+,27-,28-,29+,30+,31+,32+/m1/s1
C32H46O16686.6984500
64919839

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18+,23-,24-,25-,26-,27+,28+,29-,30-,31+,32+/m1/s1
C32H46O16686.6983200
8570286

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C32H46O16/c1-43-21-9-15(3-5-19(21)45-31-29(41)27(39)25(37)23(13-35)47-31)7-17(11-33)18(12-34)8-16-4-6-20(22(10-16)44-2)46-32-30(42)28(40)26(38)24(14-36)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23+,24+,25+,26+,27-,28-,29+,30+,31?,32?/m0/s1
C32H46O16686.6982100
8615021

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C32H46O16/c1-11(2)6-17(34)48-22-24-31-10-44-32(24,29(42)43-5)26(40)21(38)23(31)30(4)13(8-16(31)47-27(22)41)12(3)7-14(25(30)39)45-28-20(37)19(36)18(35)15(9-33)46-28/h7,11,13-16,18-26,28,33,35-40H,6,8-10H2,1-5H3/t13-,14-,15+,16+,18+,19-,20+,21+,22+,23+,24+,25-,26-,28+,30-,31+,32+/m0/s1
C32H46O16686.6982100
9426023

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C32H46O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h6,12-16,18-26,28,33,35-40H,7-10H2,1-5H3/t12-,13-,14+,15+,16+,18-,19+,20-,21+,22+,23+,24+,25+,26-,28+,30-,31+,32-/m0/s1
C32H46O16686.6982100
9608792

17 of 18 defined stereocentres - 17/18 defined
InChI=1/C32H46O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h6,12-16,18-26,28,33,35-40H,7-10H2,1-5H3/t12-,13-,14+,15+,16+,18-,19+,20-,21+,22+,23+,24?,25+,26-,28+,30-,31+,32-/m0/s1
C32H46O16686.6982100
27471813

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23-,24-,25-,26+,27+,28+,29-,30-,31-,32-/m0/s1
C32H46O16686.6982100
28574356

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3
C32H46O16686.6982200
21246700

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17?,18?,23-,24-,25-,26-,27+,28+,29-,30-,31-,32-/m1/s1
C32H46O16686.6981100
107448377

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17?,18?,23-,24-,25-,26-,27+,28+,29-,30-,31-,32-/m0/s1
C32H46O16686.6981100
113612073

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23+,24+,25+,26+,27-,28-,29-,30-,31-,32-/m0/s1
C32H46O16686.6981100
114391315

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23+,24+,25+,26+,27-,28+,29-,30-,31-,32+/m0/s1
C32H46O16686.6981100
114642417

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23+,24+,25+,26+,27-,28-,29-,30-,31+,32+/m0/s1
C32H46O16686.6981100
128925506

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23+,24+,25-,26+,27-,28-,29+,30-,31+,32+/m0/s1
C32H46O16686.6981100

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