methyl 6-[6,7-bis(oxidanyl)naphthalen-2-yl]sulfanyl-5-oxidanylidene-hexanoate

Systemtic Name: methyl 6-[6,7-bis(oxidanyl)naphthalen-2-yl]sulfanyl-5-oxidanylidene-hexanoate Openeye Name: methyl 6-[(6,7-dihydroxy-2-naphthyl)sulfanyl]-5-oxo-hexanoate CAS Name: 6-[(6,7-dihydroxy-2-naphthalenyl)thio]-5-oxohexanoic acid methyl ester IUPAC Name: methyl 6-(6,7-dihydroxynaphthalen-2-yl)sulfanyl-5-oxohexanoate Traditional Name: 6-[(6,7-dihydroxy-2-naphthyl)thio]-5-keto-hexanoic acid methyl ester Formula: C17H18O5S MolecularWeight: 334.38682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)CSC1=CC2=CC(=C(C=C2C=C1)O)O

Isomeric SMILES

COC(=O)CCCC(=O)CSC1=CC2=CC(=C(C=C2C=C1)O)O

InChI

InChI=1S/C17H18O5S/c1-22-17(21)4-2-3-13(18)10-23-14-6-5-11-8-15(19)16(20)9-12(11)7-14/h5-9,19-20H,2-4,10H2,1H3