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 3 results

Search term: KIYVEMOJCNSOBL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29361646

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C15H21N9O5S/c1-30(3-2-6(16)14(27)28)4-7-9(25)10(26)13(29-7)24-12-8(11(17)19-5-20-12)21-15(24)22-23-18/h5-7,9-10,13,25-26H,2-4,16H2,1H3,(H2-,17,19,20,27,28)/t6-,7+,9+,10+,13+,30?/m0/s1
C15H21N9O5S439.44955400
118856

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C15H21N9O5S/c1-30(3-2-6(16)14(27)28)4-7-9(25)10(26)13(29-7)24-12-8(11(17)19-5-20-12)21-15(24)22-23-18/h5-7,9-10,13,25-26H,2-4,16H2,1H3,(H2-,17,19,20,27,28)/t6?,7-,9-,10-,13-,30?/m1/s1
C15H21N9O5S439.44953200
118857

Charge

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C15H21N9O5S/c1-30(3-2-6(16)14(27)28)4-7-9(25)10(26)13(29-7)24-12-8(11(17)19-5-20-12)21-15(24)22-23-18/h5-7,9-10,13,25-26H,2-4,16H2,1H3,(H2-,17,19,20,27,28)/p+1/t6?,7-,9-,10-,13-,30?/m1/s1
C15H22N9O5S440.45692200

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