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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Single/Multi-component
Isotopically Labeled
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Found 1204 results

Search term: C13H22N4O4S (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2298464

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H22N4O4S/c1-14-13(9-17(18)19)15-6-7-22(20)10-12-5-4-11(21-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+
C13H22N4O4S330.40318387300
26014534
InChI=1/C13H22N4O4S/c1-4-21-13(18)11-9-14-15-12(11)22(19,20)17-7-5-16(6-8-17)10(2)3/h9-10H,4-8H2,1-3H3,(H,14,15)
C13H22N4O4S330.4032333000
2298463

Double-bond stereo
InChI=1/C13H22N4O4S/c1-14-13(8-16(18)19)15-6-7-22-10-12-5-4-11(21-12)9-17(2,3)20/h4-5,8,14-15H,6-7,9-10H2,1-3H3/b13-8+
C13H22N4O4S330.4032255600
576303
InChI=1/C13H22N4O4S/c1-13(2,3)21-11(19)14-7-6-9-15-16-12(20-9)22-8-10(18)17(4)5/h6-8H2,1-5H3,(H,14,19)
C13H22N4O4S330.4032161100
4344006

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H22N4O4S/c1-8(14-11(19)21-13(2,3)4)10-15-16-12(20-10)22-7-9(18)17(5)6/h8H,7H2,1-6H3,(H,14,19)
C13H22N4O4S330.40318151300
2496284
InChI=1/C13H22N4O4S/c1-5-21-13(18)16-6-8-17(9-7-16)22(19,20)12-10(2)14-15(4)11(12)3/h5-9H2,1-4H3
C13H22N4O4S330.4032141000
12532619
InChI=1/C13H22N4O4S/c1-3-21-10-16-9-12(8-14-16)15-13(18)11-4-6-17(7-5-11)22(2,19)20/h8-9,11H,3-7,10H2,1-2H3,(H,15,18)
C13H22N4O4S330.403214900
7400621
InChI=1/C13H22N4O4S/c1-10-13(22(19,20)16-5-7-21-8-6-16)11(2)17(14-10)9-12(18)15(3)4/h5-9H2,1-4H3
C13H22N4O4S330.403213900
2357678

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C13H22N4O4S/c14-17-13(20)9(7-22-11-3-1-2-6-21-11)16-12(19)8-4-5-10(18)15-8/h8-9,11H,1-7,14H2,(H,15,18)(H,16,19)(H,17,20)
C13H22N4O4S330.4031813900
1509400

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H22N4O4S/c1-7(2)9(15-11(19)21-13(3,4)5)10-16-17-12(20-10)22-6-8(14)18/h7,9H,6H2,1-5H3,(H2,14,18)(H,15,19)/t9-/m0/s1
C13H22N4O4S330.403211900
21591724

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H22N4O4S/c1-2-21-10(19)6-4-3-5-9(18)11-8(7-22-12(14)15)16-13(20)17-11/h9,18H,2-7H2,1H3,(H3,14,15)(H2,16,17,20)
C13H22N4O4S330.403211800
22279189
InChI=1/C13H22N4O4S/c1-3-5-16-6-8-17(9-7-16)22(19,20)12-11(10-14-15-12)13(18)21-4-2/h10H,3-9H2,1-2H3,(H,14,15)
C13H22N4O4S330.403211800
21930798
InChI=1/C13H22N4O4S/c1-4-9-22(18,19)17-7-5-16(6-8-17)11-10-12(20-2)15-13(14-11)21-3/h10H,4-9H2,1-3H3
C13H22N4O4S330.403210800
2993041

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H22N4O4S/c1-7(2)9(15-11(19)21-13(3,4)5)10-16-17-12(20-10)22-6-8(14)18/h7,9H,6H2,1-5H3,(H2,14,18)(H,15,19)
C13H22N4O4S330.4031810700
4555683

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H22N4O4S/c1-8(14-11(19)21-13(2,3)4)10-15-16-12(20-10)22-7-9(18)17(5)6/h8H,7H2,1-6H3,(H,14,19)/t8-/m0/s1
C13H22N4O4S330.403210900
6469756
InChI=1/C13H22N4O4S/c1-10-13(22(19,20)15(3)4)11(2)17(14-10)9-12(18)16-5-7-21-8-6-16/h5-9H2,1-4H3
C13H22N4O4S330.403210700
20429457
InChI=1/C13H22N4O4S/c1-3-5-16-6-8-17(9-7-16)22(19,20)12-10-11(14-15-12)13(18)21-4-2/h10H,3-9H2,1-2H3,(H,14,15)
C13H22N4O4S330.403210800
26140829

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H22N4O4S/c1-4-16(5-2)9-10(3)15-12-7-6-11(22(14,20)21)8-13(12)17(18)19/h6-8,10,15H,4-5,9H2,1-3H3,(H2,14,20,21)
C13H22N4O4S330.40329700
30685417
InChI=1/C13H22N4O4S/c1-16-9-11(13(15-16)21-2)12(18)14-8-10-4-6-17(7-5-10)22(3,19)20/h9-10H,4-8H2,1-3H3,(H,14,18)
C13H22N4O4S330.40329900
30760354
InChI=1/C13H22N4O4S/c18-12-14-5-8-17(12)13(19)15-9-10-3-6-16(7-4-10)22(20,21)11-1-2-11/h10-11H,1-9H2,(H,14,18)(H,15,19)
C13H22N4O4S330.40329700
12345

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