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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 14 results

Search term: C33H57N3O9 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
144430

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25+,26+,27+/m0/s1
C33H57N3O9639.8204576300
58917617

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H57N3O9/c1-22(2)16-14-12-10-8-7-9-11-13-15-17-23(3)30-24(4)31(41)34-25(21-37)18-19-27(39)36(5)20-26(38)35-28(32(42)45-30)29(40)33(43)44-6/h18-19,22-25,28-30,37,40H,7-17,20-21H2,1-6H3,(H,34,41)(H,35,38)/b19-18+/t23-,24+,25-,28+,29+,30+/m1/s1
C33H57N3O9639.82043300
9247456

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C33H57N3O9/c1-12-23-33(8)27-19(4)24(34-13-14-36(27)31(40)45-33)17(2)16-32(7,41-11)28(20(5)25(37)21(6)29(39)43-23)44-30-26(38)22(35(9)10)15-18(3)42-30/h17-24,26-28,30,34,38H,12-16H2,1-11H3/t17-,18-,19+,20+,21-,22+,23+,24+,26-,27-,28-,30+,32-,33-/m1/s1
C33H57N3O9639.82042100
9290032

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C33H57N3O9/c1-12-23-33(8)27-19(4)24(34-13-14-36(27)31(40)45-33)17(2)16-32(7,41-11)28(20(5)25(37)21(6)29(39)43-23)44-30-26(38)22(35(9)10)15-18(3)42-30/h17-23,25-28,30,37-38H,12-16H2,1-11H3/t17-,18-,19+,20+,21-,22+,23+,25+,26-,27-,28-,30+,32-,33-/m1/s1
C33H57N3O9639.82042100
58914531

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H57N3O9/c1-22(2)16-14-12-10-8-7-9-11-13-15-17-23(3)30-24(4)31(41)34-25(21-37)18-19-27(39)36(5)20-26(38)35-28(32(42)45-30)29(40)33(43)44-6/h18-19,22-25,28-30,37,40H,7-17,20-21H2,1-6H3,(H,34,41)(H,35,38)/b19-18+/t23-,24+,25+,28-,29-,30+/m1/s1
C33H57N3O9639.82042200
58917255

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H57N3O9/c1-22(2)16-14-12-10-8-7-9-11-13-15-17-23(3)30-24(4)31(41)34-25(21-37)18-19-27(39)36(5)20-26(38)35-28(32(42)45-30)29(40)33(43)44-6/h18-19,22-25,28-30,37,40H,7-17,20-21H2,1-6H3,(H,34,41)(H,35,38)/b19-18+/t23-,24-,25+,28-,29-,30-/m0/s1
C33H57N3O9639.82042200
58917256

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H57N3O9/c1-22(2)16-14-12-10-8-7-9-11-13-15-17-23(3)30-24(4)31(41)34-25(21-37)18-19-27(39)36(5)20-26(38)35-28(32(42)45-30)29(40)33(43)44-6/h18-19,22-25,28-30,37,40H,7-17,20-21H2,1-6H3,(H,34,41)(H,35,38)/b19-18+/t23-,24+,25+,28-,29-,30+/m0/s1
C33H57N3O9639.82042200
58917440

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H57N3O9/c1-22(2)16-14-12-10-8-7-9-11-13-15-17-23(3)30-24(4)31(41)34-25(21-37)18-19-27(39)36(5)20-26(38)35-28(32(42)45-30)29(40)33(43)44-6/h18-19,22-25,28-30,37,40H,7-17,20-21H2,1-6H3,(H,34,41)(H,35,38)/b19-18+/t23-,24+,25-,28+,29+,30+/m0/s1
C33H57N3O9639.82042200
23196281

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C33H57N3O9/c1-13-17-18-24-30(39)36(12)26(20(6)15-3)32(41)44-22(8)28(37)34(10)25(19(5)14-2)31(40)43-23(9)29(38)35(11)27(21(7)16-4)33(42)45-24/h19-27H,13-18H2,1-12H3/t19?,20?,21?,22-,23-,24-,25+,26+,27+/m1/s1
C33H57N3O9639.82041100
78442342

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H57N3O9/c1-16(2)13-22-31(40)43-26(20(9)10)29(38)35-24(15-18(5)6)33(42)45-27(21(11)12)30(39)36-23(14-17(3)4)32(41)44-25(19(7)8)28(37)34-22/h16-27H,13-15H2,1-12H3,(H,34,37)(H,35,38)(H,36,39)/t22-,23-,24-,25+,26+,27+/m0/s1
C33H57N3O9639.82041100
78444141

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C33H57N3O9/c1-10-13-16-19-25-28(37)34(7)23(5)32(41)44-27(21-18-15-12-3)30(39)36(9)24(6)33(42)45-26(20-17-14-11-2)29(38)35(8)22(4)31(40)43-25/h22-27H,10-21H2,1-9H3
C33H57N3O9639.82041100
95557501

Double-bond stereo
InChI=1/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-21,37-42H,1-15H3/b28-25+,29-26+,30-27+,31-22-,32-23-,33-24-
C33H57N3O9639.82041100
110803986

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25-,26+,27+/m0/s1
C33H57N3O9639.82041100
129236346

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H57N3O9/c1-10-13-16-19-25-28(37)34(7)23(5)32(41)44-27(21-18-15-12-3)30(39)36(9)24(6)33(42)45-26(20-17-14-11-2)29(38)35(8)22(4)31(40)43-25/h22-27H,10-21H2,1-9H3/t22-,23-,24-,25+,26+,27+/m1/s1
C33H57N3O9639.82041100

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