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

Systemtic Name: 2-(naphthalen-2-ylsulfanylmethyl)-5-oxidanylidene-5-phenylmethoxy-pentanoic acid Openeye Name: 5-benzyloxy-2-(2-naphthylsulfanylmethyl)-5-oxo-pentanoic acid CAS Name: 2-[(2-naphthalenylthio)methyl]-5-oxo-5-phenylmethoxypentanoic acid IUPAC Name: 2-(naphthalen-2-ylsulfanylmethyl)-5-oxo-5-phenylmethoxypentanoic acid Traditional Name: 5-benzoxy-5-keto-2-[(2-naphthylthio)methyl]valeric acid Formula: C23H22O4S MolecularWeight: 394.48338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCC(CSC2=CC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCC(CSC2=CC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C23H22O4S/c24-22(27-15-17-6-2-1-3-7-17)13-11-20(23(25)26)16-28-21-12-10-18-8-4-5-9-19(18)14-21/h1-10,12,14,20H,11,13,15-16H2,(H,25,26)