5-methoxy-2-(naphthalen-2-ylsulfanylmethyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-methoxy-2-(naphthalen-2-ylsulfanylmethyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-methoxy-2-(2-naphthylsulfanylmethyl)-5-oxo-pentanoic acid CAS Name: 5-methoxy-2-[(2-naphthalenylthio)methyl]-5-oxopentanoic acid IUPAC Name: 5-methoxy-2-(naphthalen-2-ylsulfanylmethyl)-5-oxopentanoic acid Traditional Name: 5-keto-5-methoxy-2-[(2-naphthylthio)methyl]valeric acid Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O4S/c1-21-16(18)9-7-14(17(19)20)11-22-15-8-6-12-4-2-3-5-13(12)10-15/h2-6,8,10,14H,7,9,11H2,1H3,(H,19,20)