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 5 results

Search term: XKLXDVAEYAVECU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2146742

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H14N2O4S2/c15-10(16)7-20-6-9(11(17)18)14-12(19)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,15,16)(H,17,18)(H2,13,14,19)
C12H14N2O4S2314.38056171200
1470543

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H14N2O4S2/c15-10(16)7-20-6-9(11(17)18)14-12(19)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,15,16)(H,17,18)(H2,13,14,19)/t9-/m0/s1
C12H14N2O4S2314.38062100
1470545

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H14N2O4S2/c15-10(16)7-20-6-9(11(17)18)14-12(19)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,15,16)(H,17,18)(H2,13,14,19)/t9-/m1/s1
C12H14N2O4S2314.38062100
1470542

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H14N2O4S2/c15-10(16)7-20-6-9(11(17)18)14-12(19)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,15,16)(H,17,18)(H2,13,14,19)/p-2/t9-/m0/s1
C12H12N2O4S2312.36581100
1470544

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H14N2O4S2/c15-10(16)7-20-6-9(11(17)18)14-12(19)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,15,16)(H,17,18)(H2,13,14,19)/p-2/t9-/m1/s1
C12H12N2O4S2312.36581100

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