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 8 results

Search term: BJGNCJDXODQBOB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
16735812


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m1/s1
C11H8N2O3S2280.322811213819964
10696392

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)
C11H8N2O3S2280.3228524300
17207963

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m0/s1
C11H8N2O3S2280.3228241700
21203535

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/p-1/t7-/m1/s1
C11H7N2O3S2279.31542200
21203707

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/p-1/t7-/m0/s1
C11H7N2O3S2279.31542200
58782518

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m1/s1/i12+1,13+1
C11H815N2O3S2282.30961100
58782558

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m1/s1/i9+1,10+1,12+1
C913C2H8N15NO3S2283.30151100
110406161

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/i1+2,2+2,3+2,5+2,6+2,8+2
C514C6H8N2O3S2292.27811100

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