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 6 results

Search term: QYJUINXANIOBKV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4590802

Charge

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C18H13N3O2S/c22-9-3-10-18-4-8(9)21-2-1-7-6-19-14-12(7)16(21)13(18)15(17(14)23)20-11(5-18)24-10/h3,6,8,11H,1-2,4-5H2,(H,19,20,23)/p+1/t8-,11+,18?/m0/s1
C18H14N3O2S336.38714400
10471553

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H13N3O2S/c22-9-3-10-18-4-8(9)21-2-1-7-6-19-14-12(7)16(21)13(18)15(17(14)23)20-11(5-18)24-10/h3,6,8,11H,1-2,4-5H2,(H,19,20,23)/p+1/t8-,11-,18-/m0/s1
C18H14N3O2S336.38714400
4712743

Charge

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C18H13N3O2S/c22-9-3-10-18-4-8(9)21-2-1-7-6-19-14-12(7)16(21)13(18)15(17(14)23)20-11(5-18)24-10/h3,6,8,11H,1-2,4-5H2,(H,19,20,23)/p+1
C18H14N3O2S336.38712100
4534130

Charge

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C18H13N3O2S/c22-9-3-10-18-4-8(9)21-2-1-7-6-19-14-12(7)16(21)13(18)15(17(14)23)20-11(5-18)24-10/h3,6,8,11H,1-2,4-5H2,(H,19,20,23)/p+1/t8?,11?,18-/m0/s1
C18H14N3O2S336.38712100
30816018

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H13N3O2S/c22-9-3-10-18-4-8(9)21-2-1-7-6-19-14-12(7)16(21)13(18)15(17(14)23)20-11(5-18)24-10/h3,6,8,11H,1-2,4-5H2,(H,19,20,23)/p+1/t8-,11+,18-/m0/s1
C18H14N3O2S336.38712200
24676951

Charge

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C18H13N3O2S/c22-9-3-10-18-4-8(9)21-2-1-7-6-19-14-12(7)16(21)13(18)15(17(14)23)20-11(5-18)24-10/h3,6,8,11H,1-2,4-5H2,(H,19,20,23)/p+1/t8?,11-,18-/m0/s1
C18H14N3O2S336.38711100

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