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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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Isotopically Labeled
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Found 3122 results

Search term: C16H19N3O5S (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
31006

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
C16H19N3O5S365.40421138939140610
56640

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11-,15-;/m1./s1
C16H19N3O5S365.40427312204
75664

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H19N3O5S/c20-14(24-11-7-5-10(6-8-11)19(22)23)4-2-1-3-13-15-12(9-25-13)17-16(21)18-15/h5-8,12-13,15H,1-4,9H2,(H2,17,18,21)/t12-,13-,15-/m0/s1
C16H19N3O5S365.4042625902
29964

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10+,11-,14+/m0/s1
C16H19N3O5S365.4042384200
4447587

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H19N3O5S/c1-24-9-7-25-15-11(14(21)19(15)12(9)16(22)23)18-13(20)10(17)8-5-3-2-4-6-8/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
C16H19N3O5S365.4042364720
20123822

Double-bond stereo
InChI=1/C16H19N3O5S/c1-3-19(4-2)11-5-7-13(16(21)9-11)17-18-14-10-12(25(22,23)24)6-8-15(14)20/h5-10,20-21H,3-4H2,1-2H3,(H,22,23,24)/b18-17+
C16H19N3O5S365.4042342600
2086

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)
C16H19N3O5S365.404233597300
119705

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9?,10-,11+,14-/m1/s1
C16H19N3O5S365.4042336600
9592104

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H19N3O5S/c1-19(2)13-7-3-6-11-10(13)5-4-8-14(11)25(23,24)18-12(16(21)22)9-15(17)20/h3-8,12,18H,9H2,1-2H3,(H2,17,20)(H,21,22)/t12-/m0/s1
C16H19N3O5S365.4042293400
92630

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H19N3O5S/c1-19(2)13-7-3-6-11-10(13)5-4-8-14(11)25(23,24)18-12(16(21)22)9-15(17)20/h3-8,12,18H,9H2,1-2H3,(H2,17,20)(H,21,22)
C16H19N3O5S365.4042282600
861614
InChI=1/C16H19N3O5S/c1-5-23-15(21)11-9(3)12(16(22)24-6-2)25-14(11)18-13(20)10-7-8-17-19(10)4/h7-8H,5-6H2,1-4H3,(H,18,20)
C16H19N3O5S365.4042261700
561086
InChI=1/C16H19N3O5S/c1-11-5-7-13(8-6-11)25(21,22)19(10-15(20)24-4)16-17-12(2)9-14(18-16)23-3/h5-9H,10H2,1-4H3
C16H19N3O5S365.4042241300
919469
InChI=1/C16H19N3O5S/c1-3-24-16(22)13-10(2)12-14(25-13)17-9-19(15(12)21)8-11(20)18-4-6-23-7-5-18/h9H,3-8H2,1-2H3
C16H19N3O5S365.4042231500
1013998
InChI=1/C16H19N3O5S/c1-17(2)25(22,23)18(14-7-5-4-6-8-14)12-13-9-10-16(24-3)15(11-13)19(20)21/h4-11H,12H2,1-3H3
C16H19N3O5S365.4042231600
2347937

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H19N3O5S/c1-3-25-9-8-24-15(20)13-10(2)17-16(21)18-14(13)11-4-6-12(7-5-11)19(22)23/h4-7,14H,3,8-9H2,1-2H3,(H2,17,18,21)
C16H19N3O5S365.40416231400
861238
InChI=1/C16H19N3O5S/c1-8(2)24-15(21)11-9(3)12(16(22)23-5)25-14(11)18-13(20)10-6-7-17-19(10)4/h6-8H,1-5H3,(H,18,20)
C16H19N3O5S365.4042221500
95070
InChI=1/C16H19N3O5S/c1-4-24-13-7-5-12(6-8-13)17-15-10-9-14(11-16(15)19(20)21)25(22,23)18(2)3/h5-11,17H,4H2,1-3H3
C16H19N3O5S365.4042212300
1613189
InChI=1/C16H19N3O5S/c1-21-12-4-3-11(9-13(12)22-2)15-17-18-16(24-15)25-10-14(20)19-5-7-23-8-6-19/h3-4,9H,5-8,10H2,1-2H3
C16H19N3O5S365.4042211500
953145
InChI=1/C16H19N3O5S/c1-5-6-19-15(17-18-16(19)25-9-13(20)21)10-7-11(22-2)14(24-4)12(8-10)23-3/h5,7-8H,1,6,9H2,2-4H3,(H,20,21)
C16H19N3O5S365.4042211200
2347606

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H19N3O5S/c1-3-25-8-7-24-15(20)13-10(2)17-16(21)18-14(13)11-5-4-6-12(9-11)19(22)23/h4-6,9,14H,3,7-8H2,1-2H3,(H2,17,18,21)
C16H19N3O5S365.40416201200
12345

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