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
Additional Filters

Found 29 results

Search term: C6H6O5S (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
16554
InChI=1/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)
C6H6O5S190.1738525911
164229
InChI=1/C6H6O5S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3,7-8H,(H,9,10,11)
C6H6O5S190.1738334500
141624
InChI=1/C6H6O5S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4,7H,(H,8,9,10)
C6H6O5S190.1738253100
26054002
InChI=1/C6H6O5S/c1-12(9,10)5-3-2-4(11-5)6(7)8/h2-3H,1H3,(H,7,8)
C6H6O5S190.1738232000
2341024
InChI=1/C6H6O5S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4,7H,(H,8,9,10)
C6H6O5S190.17384202000
4471549
InChI=1/C6H6O5S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)
C6H6O5S190.17384201900
389808
InChI=1/C6H6O5S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3,7-8H,(H,9,10,11)
C6H6O5S190.1738191700
37653477
InChI=1/C6H6O5S/c1-12(9,10)5-2-4(3-11-5)6(7)8/h2-3H,1H3,(H,7,8)
C6H6O5S190.1738121300
10645515
InChI=1/C6H6O5S/c7-5-2-1-3-6(4-5)11-12(8,9)10/h1-4,7H,(H,8,9,10)
C6H6O5S190.17387600
13237862
InChI=1/C6H6O5S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)
C6H6O5S190.17387600
68014445
InChI=1/C6H6O5S/c1-12(9,10)4-2-5(6(7)8)11-3-4/h2-3H,1H3,(H,7,8)
C6H6O5S190.17386400
11542556
InChI=1/C6H6O5S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3,7-8H,(H,9,10,11)
C6H6O5S190.17385500
57459488

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C6H6O5S/c7-5-3-1-12(9,10)2-4(3)6(8)11-5/h3-4H,1-2H2
C6H6O5S190.17384500
68011693

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H6O5S/c7-5-3-1-12(9,10)2-4(3)6(8)11-5/h3-4H,1-2H2/t3-,4+
C6H6O5S190.17383100
60747353
InChI=1/C6H6O5S/c7-5(8)3-1-12(11)2-4(3)6(9)10/h1-2H2,(H,7,8)(H,9,10)
C6H6O5S190.17382300
8734953

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H6O5S/c7-5(8)1-3-12(11)4-2-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2+
C6H6O5S190.17382100
9020639

Double-bond stereo
InChI=1/C6H6O5S/c7-5(8)1-3-12(11)4-2-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2-
C6H6O5S190.17382100
61453629

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C6H6O5S/c7-5-3-1-2-4(6(8)11-5)12(3,9)10/h3-4H,1-2H2
C6H6O5S190.17381100
60608201

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H6O5S/c7-4(8)2-12-3-1-5(9)11-6(3)10/h3H,1-2H2,(H,7,8)
C6H6O5S190.17381100
12

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