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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
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Found 283 results

Search term: C31H30N4O5S (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2913689

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H30N4O5S/c1-4-40-29(37)19-12-14-21(15-13-19)32-30(41)34-25-11-6-5-10-23(25)33-24-17-31(2,3)18-26(36)27(24)28(34)20-8-7-9-22(16-20)35(38)39/h5-16,28,33H,4,17-18H2,1-3H3,(H,32,41)
C31H30N4O5S570.658699999999211400
4870498

Double-bond stereo
InChI=1/C31H30N4O5S/c1-6-11-22-14-21(16-26(38-7-2)27(22)40-18-24-13-10-9-12-23(24)17-32)15-25-19(4)34-35(29(25)36)31-33-20(5)28(41-31)30(37)39-8-3/h6,9-10,12-16H,1,7-8,11,18H2,2-5H3/b25-15+
C31H30N4O5S570.6587191400
2713315

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H30N4O5S/c1-2-40-30(39)22-12-16-25(17-13-22)35-29(38)26(19-27(36)32-23-7-4-3-5-8-23)34(31(35)41)20-21-10-14-24(15-11-21)33-18-6-9-28(33)37/h3-5,7-8,10-17,26H,2,6,9,18-20H2,1H3,(H,32,36)
C31H30N4O5S570.658699999999171200
12268253

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H30N4O5S/c1-4-40-29(37)20-9-13-21(14-10-20)32-30(41)34-25-8-6-5-7-23(25)33-24-17-31(2,3)18-26(36)27(24)28(34)19-11-15-22(16-12-19)35(38)39/h5-16,28,33H,4,17-18H2,1-3H3,(H,32,41)
C31H30N4O5S570.6587171200
4273676

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H30N4O5S/c1-2-40-30(39)22-12-14-23(15-13-22)32-27(36)19-26-29(38)35(25-7-4-3-5-8-25)31(41)34(26)20-21-10-16-24(17-11-21)33-18-6-9-28(33)37/h3-5,7-8,10-17,26H,2,6,9,18-20H2,1H3,(H,32,36)
C31H30N4O5S570.658699999999161300
7932459

Double-bond stereo
InChI=1/C31H30N4O5S/c1-22-13-19-27(20-14-22)41(38,39)35(28-11-7-8-12-29(28)40-3)21-30(36)34-33-23(2)24-15-17-26(18-16-24)32-31(37)25-9-5-4-6-10-25/h4-20H,21H2,1-3H3,(H,32,37)(H,34,36)/b33-23+
C31H30N4O5S570.6587151200
7957100

Double-bond stereo
InChI=1/C31H30N4O5S/c1-24(36)33-27-15-17-30(18-16-27)41(38,39)35(20-19-25-9-4-2-5-10-25)23-31(37)34-32-22-26-11-8-14-29(21-26)40-28-12-6-3-7-13-28/h2-18,21-22H,19-20,23H2,1H3,(H,33,36)(H,34,37)/b32-22+
C31H30N4O5S570.6587141400
4506980

Double-bond stereo
InChI=1/C31H30N4O5S/c1-3-40-29-20-11-10-19-28(29)35(41(38,39)27-17-8-5-9-18-27)22-30(36)34-33-23(2)25-15-12-16-26(21-25)32-31(37)24-13-6-4-7-14-24/h4-21H,3,22H2,1-2H3,(H,32,37)(H,34,36)/b33-23+
C31H30N4O5S570.6587141000
1780524
InChI=1/C31H30N4O5S/c1-6-39-29(37)21-14-22(30(38)40-7-2)16-23(15-21)34-19(4)13-25(20(34)5)27(36)17-41-31-33-32-28-12-18(3)24-10-8-9-11-26(24)35(28)31/h8-16H,6-7,17H2,1-5H3
C31H30N4O5S570.658714700
3269573

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H30N4O5S/c1-20-15-21(2)33-31(32-20)41-18-28(36)35(17-22-7-5-4-6-8-22)29(23-9-14-26-27(16-23)40-19-39-26)30(37)34-24-10-12-25(38-3)13-11-24/h4-16,29H,17-19H2,1-3H3,(H,34,37)
C31H30N4O5S570.658713900
3782921

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H30N4O5S/c1-20-15-21(2)33-31(32-20)41-18-28(36)35(17-22-9-12-25(38-3)13-10-22)29(23-7-5-4-6-8-23)30(37)34-24-11-14-26-27(16-24)40-19-39-26/h4-16,29H,17-19H2,1-3H3,(H,34,37)
C31H30N4O5S570.65869999999913900
968086
InChI=1/C31H30N4O5S/c1-5-39-26-18-25(27(40-6-2)17-24(26)32-29(36)20-12-14-22(38-4)15-13-20)33-30(37)28-16-23-19(3)34-35(31(23)41-28)21-10-8-7-9-11-21/h7-18H,5-6H2,1-4H3,(H,32,36)(H,33,37)
C31H30N4O5S570.658712600
21259643

Double-bond stereo
InChI=1/C31H30N4O5S/c1-18-7-6-8-22(13-18)30-34-35-28(32)24(29(36)33-31(35)41-30)15-21-16-25(37-4)27(26(17-21)38-5)40-12-11-39-23-10-9-19(2)20(3)14-23/h6-10,13-17,32H,11-12H2,1-5H3/b24-15+,32-28?
C31H30N4O5S570.658711800
21260844

Double-bond stereo
InChI=1/C31H30N4O5S/c1-19-10-11-23(14-20(19)2)39-12-13-40-28-25(37-3)16-22(17-26(28)38-4)15-24-29(32)35-31(33-30(24)36)41-27(34-35)18-21-8-6-5-7-9-21/h5-11,14-17,32H,12-13,18H2,1-4H3/b24-15+,32-29?
C31H30N4O5S570.658711800
2905479

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C31H30N4O5S/c1-39-26-11-9-22(15-27(26)40-2)32-30(37)20-8-10-25(23(14-20)33-31(38)28-6-4-12-41-28)34-16-19-13-21(18-34)24-5-3-7-29(36)35(24)17-19/h3-12,14-15,19,21H,13,16-18H2,1-2H3,(H,32,37)(H,33,38)
C31H30N4O5S570.65869999999910700
21597245

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H30N4O5S/c1-4-20-8-12-23(13-9-20)35-29(37)27-19(3)33-30(24(17-32)28(27)25-7-6-16-40-25)41-18-26(36)34-22-14-10-21(11-15-22)31(38)39-5-2/h6-16,28,33H,4-5,18H2,1-3H3,(H,34,36)(H,35,37)
C31H30N4O5S570.65879700
21597285

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H30N4O5S/c1-4-40-23-13-11-22(12-14-23)34-27(37)18-41-31-24(17-32)29(20-10-15-25(36)26(16-20)39-3)28(19(2)33-31)30(38)35-21-8-6-5-7-9-21/h5-16,29,33,36H,4,18H2,1-3H3,(H,34,37)(H,35,38)
C31H30N4O5S570.65879700
21597305

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H30N4O5S/c1-4-40-25-13-9-8-12-23(25)35-27(37)18-41-31-22(17-32)29(20-14-15-24(36)26(16-20)39-3)28(19(2)33-31)30(38)34-21-10-6-5-7-11-21/h5-16,29,33,36H,4,18H2,1-3H3,(H,34,38)(H,35,37)
C31H30N4O5S570.65879700
21672374

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H30N4O5S/c1-17-13-18(2)28(19(3)14-17)35-25(36)16-41-30-22(15-32)27(24-11-8-12-40-24)26(20(4)33-30)29(37)34-23-10-7-6-9-21(23)31(38)39-5/h6-14,27,33H,16H2,1-5H3,(H,34,37)(H,35,36)
C31H30N4O5S570.65879700
21334003

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H30N4O5S/c1-4-40-29(37)19-12-14-21(15-13-19)32-30(41)34-25-11-6-5-10-23(25)33-24-17-31(2,3)18-26(36)27(24)28(34)20-8-7-9-22(16-20)35(38)39/h5-16,28,36H,4,17-18H2,1-3H3,(H,32,41)
C31H30N4O5S570.65878700
12345

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