methyl 5-oxidanylidene-6-(6-oxidanylnaphthalen-2-yl)sulfanyl-hexanoate

Systemtic Name: methyl 5-oxidanylidene-6-(6-oxidanylnaphthalen-2-yl)sulfanyl-hexanoate Openeye Name: methyl 6-[(6-hydroxy-2-naphthyl)sulfanyl]-5-oxo-hexanoate CAS Name: 6-[(6-hydroxy-2-naphthalenyl)thio]-5-oxohexanoic acid methyl ester IUPAC Name: methyl 6-(6-hydroxynaphthalen-2-yl)sulfanyl-5-oxohexanoate Traditional Name: 6-[(6-hydroxy-2-naphthyl)thio]-5-keto-hexanoic acid methyl ester Formula: C17H18O4S MolecularWeight: 318.38742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)CSC1=CC2=C(C=C1)C=C(C=C2)O

Isomeric SMILES

COC(=O)CCCC(=O)CSC1=CC2=C(C=C1)C=C(C=C2)O

InChI

InChI=1S/C17H18O4S/c1-21-17(20)4-2-3-15(19)11-22-16-8-6-12-9-14(18)7-5-13(12)10-16/h5-10,18H,2-4,11H2,1H3