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 294 results

Search term: C31H30N4O4S (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4100158

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H30N4O4S/c1-4-39-23-16-14-22(15-17-23)34-27(36)19-40-31-24(18-32)29(21-10-6-5-7-11-21)28(20(2)33-31)30(37)35-25-12-8-9-13-26(25)38-3/h5-17,29,33H,4,19H2,1-3H3,(H,34,36)(H,35,37)
C31H30N4O4S554.659299999999161100
1167211
InChI=1/C31H30N4O4S/c1-20(36)32-22-10-12-23(13-11-22)33-26(37)19-40-30-34-28-25-9-3-2-7-21(25)17-31(14-4-5-15-31)27(28)29(38)35(30)18-24-8-6-16-39-24/h2-3,6-13,16H,4-5,14-15,17-19H2,1H3,(H,32,36)(H,33,37)
C31H30N4O4S554.6593151100
4775293

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H30N4O4S/c1-20-27(29(36)33-22-11-5-3-6-12-22)28(21-10-9-13-23(18-21)38-2)35-30(37)25(40-31(35)32-20)19-24-14-15-26(39-24)34-16-7-4-8-17-34/h3,5-6,9-15,18-19,28H,4,7-8,16-17H2,1-2H3,(H,33,36)/b25-19-
C31H30N4O4S554.6593151200
3241368

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H30N4O4S/c1-19-14-15-26(39-19)29-22(17-32)31(40-18-27(36)35-16-8-10-21-9-4-6-12-24(21)35)33-20(2)28(29)30(37)34-23-11-5-7-13-25(23)38-3/h4-7,9,11-15,29,33H,8,10,16,18H2,1-3H3,(H,34,37)
C31H30N4O4S554.659314900
3351079

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H30N4O4S/c1-20-9-7-8-12-24(20)17-35(28(36)18-40-31-32-21(2)15-22(3)33-31)29(23-10-5-4-6-11-23)30(37)34-25-13-14-26-27(16-25)39-19-38-26/h4-16,29H,17-19H2,1-3H3,(H,34,37)
C31H30N4O4S554.65929999999913900
1811958
InChI=1/C31H30N4O4S/c1-3-4-5-8-17-35-30(37)24-10-7-6-9-23(24)28(34-35)31(38)39-19-27(36)32-22-14-12-21(13-15-22)29-33-25-16-11-20(2)18-26(25)40-29/h6-7,9-16,18H,3-5,8,17,19H2,1-2H3,(H,32,36)
C31H30N4O4S554.659313800
2525898

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H30N4O4S/c1-20-9-11-23(12-10-20)17-35(28(36)18-40-31-32-21(2)15-22(3)33-31)29(24-7-5-4-6-8-24)30(37)34-25-13-14-26-27(16-25)39-19-38-26/h4-16,29H,17-19H2,1-3H3,(H,34,37)
C31H30N4O4S554.659313900
7939088

Double-bond stereo
InChI=1/C31H30N4O4S/c1-22-12-10-19-29(23(22)2)35(40(38,39)28-17-8-5-9-18-28)21-30(36)34-33-24(3)26-15-11-16-27(20-26)32-31(37)25-13-6-4-7-14-25/h4-20H,21H2,1-3H3,(H,32,37)(H,34,36)/b33-24+
C31H30N4O4S554.6593131000
22495370
InChI=1/C31H30N4O4S/c1-5-20-11-14-23(15-12-20)35-30(37)29-28(24(18-34(29)2)21-9-7-6-8-10-21)33-31(35)40-19-27(36)32-22-13-16-25(38-3)26(17-22)39-4/h6-18H,5,19H2,1-4H3,(H,32,36)
C31H30N4O4S554.6593131000
21863867

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H30N4O4S/c1-3-21(2)23-11-15-26(16-12-23)38-18-17-37-25-13-9-22(10-14-25)19-27-29(32)35-31(33-30(27)36)40-28(34-35)20-39-24-7-5-4-6-8-24/h4-16,19,21,32H,3,17-18,20H2,1-2H3/b27-19-,32-29?
C31H30N4O4S554.659312800
2424292
InChI=1/C31H30N4O4S/c1-5-38-26-18-25(27(39-6-2)17-24(26)32-29(36)21-14-12-19(3)13-15-21)33-30(37)28-16-23-20(4)34-35(31(23)40-28)22-10-8-7-9-11-22/h7-18H,5-6H2,1-4H3,(H,32,36)(H,33,37)
C31H30N4O4S554.659312600
3656977

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H30N4O4S/c1-20-9-11-24(12-10-20)29(30(37)34-25-13-14-26-27(16-25)39-19-38-26)35(17-23-7-5-4-6-8-23)28(36)18-40-31-32-21(2)15-22(3)33-31/h4-16,29H,17-19H2,1-3H3,(H,34,37)
C31H30N4O4S554.65929999999912800
22935365

Double-bond stereo
InChI=1/C31H30N4O4S/c1-4-37-27-18-23(11-13-26(27)39-15-14-38-25-12-10-20(2)16-21(25)3)17-24-29(32)35-31(33-30(24)36)40-28(34-35)19-22-8-6-5-7-9-22/h5-13,16-18,32H,4,14-15,19H2,1-3H3/b24-17-,32-29?
C31H30N4O4S554.659311800
20189952

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H30N4O4S/c1-20-27(29(36)33-22-11-5-3-6-12-22)28(21-10-9-13-23(18-21)38-2)35-30(37)25(40-31(35)32-20)19-24-14-15-26(39-24)34-16-7-4-8-17-34/h3,5-6,9-15,18-19,28H,4,7-8,16-17H2,1-2H3,(H,33,36)/b25-19+
C31H30N4O4S554.659310600
21597273

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H30N4O4S/c1-4-20-10-13-23(14-11-20)34-27(37)18-40-31-24(17-32)29(21-12-15-25(36)26(16-21)39-3)28(19(2)33-31)30(38)35-22-8-6-5-7-9-22/h5-16,29,33,36H,4,18H2,1-3H3,(H,34,37)(H,35,38)
C31H30N4O4S554.659310800
21683044

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C31H30N4O4S/c1-3-20-10-12-22(13-11-20)26-18-25(21-8-6-5-7-9-21)34-35(26)31-33-29(37)27(40-31)19-28(36)32-24-16-14-23(15-17-24)30(38)39-4-2/h5-17,26-27H,3-4,18-19H2,1-2H3,(H,32,36)
C31H30N4O4S554.659310700
4239651

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C31H30N4O4S/c1-39-24-10-7-21(8-11-24)31(38)33-26-15-22(30(37)32-16-25-4-3-13-40-25)9-12-28(26)34-17-20-14-23(19-34)27-5-2-6-29(36)35(27)18-20/h2-13,15,20,23H,14,16-19H2,1H3,(H,32,37)(H,33,38)
C31H30N4O4S554.65929999999910900
2591357

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C31H30N4O4S/c1-39-24-10-7-20(8-11-24)16-32-30(37)22-9-12-27(25(15-22)33-31(38)28-5-3-13-40-28)34-17-21-14-23(19-34)26-4-2-6-29(36)35(26)18-21/h2-13,15,21,23H,14,16-19H2,1H3,(H,32,37)(H,33,38)
C31H30N4O4S554.659310900
2597318

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C31H30N4O4S/c1-2-39-24-11-9-23(10-12-24)32-30(37)21-8-13-27(25(16-21)33-31(38)28-6-4-14-40-28)34-17-20-15-22(19-34)26-5-3-7-29(36)35(26)18-20/h3-14,16,20,22H,2,15,17-19H2,1H3,(H,32,37)(H,33,38)
C31H30N4O4S554.659310900
22495371
InChI=1/C31H30N4O4S/c1-5-20-11-13-23(14-12-20)35-30(37)29-28(26(18-34(29)2)21-9-7-6-8-10-21)33-31(35)40-19-27(36)32-22-15-24(38-3)17-25(16-22)39-4/h6-18H,5,19H2,1-4H3,(H,32,36)
C31H30N4O4S554.65939700
12345

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