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 18 results

Search term: C12H12O7S (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
1285319
InChI=1/C12H12O7S/c1-3-18-12(14)11-6(2)19-9-5-10(20(15,16)17)8(13)4-7(9)11/h4-5,13H,3H2,1-2H3,(H,15,16,17)
C12H12O7S300.2845311700
1301467
InChI=1/C12H12O7S/c1-6-11(12(13)18-3)7-4-9(17-2)10(20(14,15)16)5-8(7)19-6/h4-5H,1-3H3,(H,14,15,16)
C12H12O7S300.2845181000
11855199

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H12O7S/c1-5(13)6-4-18-7-8(19-6)10(12(15)17-3)20-9(7)11(14)16-2/h6H,4H2,1-3H3
C12H12O7S300.28453100
39098137

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H12O7S/c13-3-7-1-10-11(18-6-17-10)2-9(7)19-12-5-20(15,16)4-8(12)14/h1-3,8,12,14H,4-6H2
C12H12O7S300.28452200
39098231

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H12O7S/c13-12(14)8-3-10-11(18-6-17-10)4-9(8)19-7-1-2-20(15,16)5-7/h3-4,7H,1-2,5-6H2,(H,13,14)
C12H12O7S300.28452200
45181532
InChI=1/C12H12O7S/c1-17-12(14)6-20(15,16)5-9(13)8-2-3-10-11(4-8)19-7-18-10/h2-4H,5-7H2,1H3
C12H12O7S300.28452200
71044321

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H12O7S/c13-11(14)8-3-4-9(12(15)16)10-5-6(20(17,18)19)1-2-7(8)10/h1-2,5,8-9H,3-4H2,(H,13,14)(H,15,16)(H,17,18,19)
C12H12O7S300.28452200
8979445

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H12O7S/c1-17-11(13)7-8(12(14)18-2)10-6-4-20(15,16)3-5(6)9(7)19-10/h9-10H,3-4H2,1-2H3/t9-,10+
C12H12O7S300.28452100
9658245

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C12H12O7S/c1-2-15-12(13)11-10(18-20(14)19-11)7-3-4-8-9(5-7)17-6-16-8/h3-5,10-11H,2,6H2,1H3/t10-,11+,20?/m0/s1
C12H12O7S300.28452100
5328531

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H14O7S/c1-19-9-4-2-8(3-5-9)7-20(17,18)10(12(15)16)6-11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)(H,15,16)/p-2/t10-/m0/s1
C12H12O7S300.284481100
5328532

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H14O7S/c1-19-9-4-2-8(3-5-9)7-20(17,18)10(12(15)16)6-11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)(H,15,16)/p-2/t10-/m1/s1
C12H12O7S300.284481100
73814203
InChI=1/C12H12O7S/c1-17-12(14)9(13)7-3-4-8-10(19-6-5-18-8)11(7)20(2,15)16/h3-4H,5-6H2,1-2H3
C12H12O7S300.28451100
73814208
InChI=1/C12H12O7S/c1-17-12(14)11(13)7-5-8-9(19-4-3-18-8)6-10(7)20(2,15)16/h5-6H,3-4H2,1-2H3
C12H12O7S300.28451100
76479859
InChI=1/C12H12O7S/c1-3-17-12(14)11(13)7-4-8-9(19-6-18-8)5-10(7)20(2,15)16/h4-5H,3,6H2,1-2H3
C12H12O7S300.28451100
76479860
InChI=1/C12H12O7S/c1-3-17-12(14)9(13)7-4-5-8-10(19-6-18-8)11(7)20(2,15)16/h4-5H,3,6H2,1-2H3
C12H12O7S300.28451100
76479861
InChI=1/C12H12O7S/c1-18-10-4-7(11(13)12(14)15)2-3-9(10)19-8-5-20(16,17)6-8/h2-4,8H,5-6H2,1H3,(H,14,15)
C12H12O7S300.28451100
76479862
InChI=1/C12H12O7S/c1-18-9-3-2-7(11(13)12(14)15)4-10(9)19-8-5-20(16,17)6-8/h2-4,8H,5-6H2,1H3,(H,14,15)
C12H12O7S300.28451100
95570644
InChI=1/C12H12O7S/c13-11(14)8-3-4-9(12(15)16)10-5-6(20(17,18)19)1-2-7(8)10/h1-2,5,13-16H,3-4H2,(H,17,18,19)
C12H12O7S300.28451100

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