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
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 34 results

Search term: C12H18N4O6S (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
27326


InChI=1/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)
C12H18N4O6S346.35957321019010
2494516
InChI=1/C12H18N4O6S/c1-3-22-12(19)15-4-6-16(7-5-15)23(20,21)9-8(2)13-11(18)14-10(9)17/h3-7H2,1-2H3,(H2,13,14,17,18)
C12H18N4O6S346.3595151300
110810
InChI=1/C12H18N4O6S/c1-12(2,16(19)20)10-5-4-9(8-11(10)15(17)18)23(21,22)14(3)7-6-13/h4-5,8H,6-7,13H2,1-3H3
C12H18N4O6S346.35956600
26210451
InChI=1/C12H18N4O6S/c1-13-11(19)14-9(17)4-5-23(21,22)7-8-6-10(18)16(3)12(20)15(8)2/h6H,4-5,7H2,1-3H3,(H2,13,14,17,19)
C12H18N4O6S346.35956500
30384811

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H18N4O6S/c1-3-22-12(17)9-5-4-6-15(7-9)23(20,21)10-8-14(2)13-11(10)16(18)19/h8-9H,3-7H2,1-2H3
C12H18N4O6S346.35956400
31066178
InChI=1/C12H18N4O6S/c1-23(20,21)15-8-6-14(7-9-15)5-4-13-12(17)10-2-3-11(22-10)16(18)19/h2-3H,4-9H2,1H3,(H,13,17)
C12H18N4O6S346.35956400
31611499
InChI=1/C12H18N4O6S/c1-3-14(23(2,21)22)8-4-7-13-11-6-5-10(15(17)18)9-12(11)16(19)20/h5-6,9,13H,3-4,7-8H2,1-2H3
C12H18N4O6S346.35954400
54443061
InChI=1/C12H18N4O6S/c1-2-3-16(7-11(18)19)10(17)6-15-23(21,22)8-4-9(12(13)20)14-5-8/h4-5,14-15H,2-3,6-7H2,1H3,(H2,13,20)(H,18,19)
C12H18N4O6S346.35954500
54621203
InChI=1/C12H18N4O6S/c1-7(2)16(6-11(18)19)10(17)5-15-23(21,22)8-3-9(12(13)20)14-4-8/h3-4,7,14-15H,5-6H2,1-2H3,(H2,13,20)(H,18,19)
C12H18N4O6S346.35954500
74781868
InChI=1/2C6H8N2O.H2O4S/c2*1-4-3-5(2)8-6(9)7-4;1-5(2,3)4/h2*3H,1-2H3,(H,7,8,9);(H2,1,2,3,4)
C12H18N4O6S346.35954200
23163637

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H18N4O6S/c1-9(12(17)13-18)15(23(21,22)14(2)3)8-10-6-4-5-7-11(10)16(19)20/h4-7,9,18H,8H2,1-3H3,(H,13,17)
C12H18N4O6S346.35953300
23220464

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H18N4O6S/c1-9(12(17)13-18)15(23(21,22)14(2)3)8-10-4-6-11(7-5-10)16(19)20/h4-7,9,18H,8H2,1-3H3,(H,13,17)
C12H18N4O6S346.35953300
24643424

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H18N4O6S/c17-10-7(3-1-2-5-13-10)14-12(19)15-6-4-8-9(15)11(18)16(8)23(20,21)22/h7-9H,1-6H2,(H,13,17)(H,14,19)(H,20,21,22)/t7-,8+,9-/m0/s1
C12H18N4O6S346.35953300
63909937

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H18N4O6S/c1-22-8-11(13)12(17)14-6-7-15-23(20,21)10-4-2-9(3-5-10)16(18)19/h2-5,11,15H,6-8,13H2,1H3,(H,14,17)
C12H18N4O6S346.35953400
64071052

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H18N4O6S/c1-22-8-9(13)12(17)14-6-7-15-23(20,21)11-5-3-2-4-10(11)16(18)19/h2-5,9,15H,6-8,13H2,1H3,(H,14,17)
C12H18N4O6S346.35953400
64177260

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H18N4O6S/c1-22-8-11(13)12(17)14-5-6-15-23(20,21)10-4-2-3-9(7-10)16(18)19/h2-4,7,11,15H,5-6,8,13H2,1H3,(H,14,17)
C12H18N4O6S346.35953400
35793181
InChI=1/C6H3N3O6S.C6H15N/c10-7(11)3-1-4(8(12)13)6(16)5(2-3)9(14)15;1-4-7(5-2)6-3/h1-2,16H;4-6H2,1-3H3
C12H18N4O6S346.35953300
9275201

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H18N4O6S/c1-9(12(17)13-18)15(23(21,22)14(2)3)8-10-6-4-5-7-11(10)16(19)20/h4-7,9,18H,8H2,1-3H3,(H,13,17)/t9-/m0/s1
C12H18N4O6S346.35952100
63162454

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H18N4O6S/c1-13(8-4-5-15(6-8)23(3,21)22)9(17)7-16-11(19)10(18)14(2)12(16)20/h8H,4-7H2,1-3H3
C12H18N4O6S346.35952200
63340092
InChI=1/C12H18N4O6S/c1-13-6-9(11(18)14(2)12(13)19)23(20,21)16-7-10(17)15(8-16)4-5-22-3/h6H,4-5,7-8H2,1-3H3
C12H18N4O6S346.35952300
12

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