methyl 3-[6,7-bis(oxidanyl)naphthalen-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[6,7-bis(oxidanyl)naphthalen-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[(6,7-dihydroxy-2-naphthyl)sulfanyl]propanoate CAS Name: 3-[(6,7-dihydroxy-2-naphthalenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(6,7-dihydroxynaphthalen-2-yl)sulfanylpropanoate Traditional Name: 3-[(6,7-dihydroxy-2-naphthyl)thio]propionic acid methyl ester Formula: C14H14O4S MolecularWeight: 278.32356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=CC2=CC(=C(C=C2C=C1)O)O

Isomeric SMILES

COC(=O)CCSC1=CC2=CC(=C(C=C2C=C1)O)O

InChI

InChI=1S/C14H14O4S/c1-18-14(17)4-5-19-11-3-2-9-7-12(15)13(16)8-10(9)6-11/h2-3,6-8,15-16H,4-5H2,1H3