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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 30 results

Search term: C30H47N3O9S (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444133

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1
C30H47N3O9S625.7739508100
4446258

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9+,12-11+,16-13+/t22-,23-,24-,25+/m0/s1
C30H47N3O9S625.773879999998293500
24822073

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C30H47N3O9S/c1-2-3-12-15-24(34)25(16-13-10-8-6-4-5-7-9-11-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h4,6-10,13,16,22-25,34H,2-3,5,11-12,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b6-4-,9-7-,10-8+,16-13+/t22-,23-,24-,25+/m0/s1
C30H47N3O9S625.7739151300
4446245

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22?,23?,24-,25+/m0/s1
C30H47N3O9S625.773879999998121611
21171668

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6+,10-9+,12-11+,16-13+
C30H47N3O9S625.77399500
5019557

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6+,10-9+,12-11+,16-13+/t22?,23?,24-,25+/m0/s1
C30H47N3O9S625.77395200
4947423

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(32)29(40)33(20-28(38)39)26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31-32H2,1H3,(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9+,12-11+,16-13+/t22-,23-,24-,25?/m0/s1
C30H47N3O9S625.77394300
81374919

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H47N3O9S/c1-6-41-29(37)30(13-11-22(2)3)19-23-9-10-24(25(18-23)40-4)42-20-27(35)31-14-16-33(15-7-8-26(34)32-21-30)28(36)12-17-43(5,38)39/h9-10,18,22H,6-8,11-17,19-21H2,1-5H3,(H,31,35)(H,32,34)
C30H47N3O9S625.77394300
3770

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)
C30H47N3O9S625.77393200
46657

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/t22?,23?,24-,25+/m0/s1
C30H47N3O9S625.77392100
9642580

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22?,23-,24-,25+/m0/s1
C30H47N3O9S625.77392100
58785886

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-15-23(16-11-13-22(34)14-12-17-27(36)37)43-21-25(29(40)32-20-28(38)39)33-26(35)19-18-24(31)30(41)42/h6-7,9-11,13,23-25H,2-5,8,12,14-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,13-11-/t23-,24?,25?/m1/s1
C30H47N3O9S625.77392100
23198510

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22?,23-,24?,25-/m0/s1
C30H47N3O9S625.772200
23334061

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23+,24-,25+/m0/s1
C30H47N3O9S625.77392200
58827247

Charge

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C30H49N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h9-13,16,22-25,34H,2-8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/p-2/b10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1
C30H47N3O9S625.7751100
71044182

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23?,24+,25+/m0/s1
C30H47N3O9S625.77391900
95560484

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16-17,20,24-25,28,30-31,34,36-42H,2-5,8,14-15,18-19,21H2,1H3,(H,33,35)/b7-6+,10-9+,12-11u,16-13+,29-23u,31-22?,32-20+
C30H47N3O9S625.77391100
109486172

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(32)29(40)33(20-28(38)39)26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31-32H2,1H3,(H,36,37)(H,38,39)(H,41,42)/b7-6+,10-9+,12-11+,16-13+/t22-,23-,24-,25?/m0/s1
C30H47N3O9S625.77391100
111311845

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C30H47N3O9S/c1-2-3-12-15-24(34)25(16-13-10-8-6-4-5-7-9-11-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h4,6-10,13,16,22-25,34H,2-3,5,11-12,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b6-4-,9-7-,10-8+,16-13+/t22-,23-,24-,25+/m1/s1
C30H47N3O9S625.77391100
114815526

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6+,10-9u,12-11u,16-13+/t22-,23-,24-,25+/m0/s1
C30H47N3O9S625.77391100
12

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