methyl 4-[3-oxidanylidene-4-[4-(5-phenylpentylsulfanyl)phenoxy]butyl]benzoate

Systemtic Name: methyl 4-[3-oxidanylidene-4-[4-(5-phenylpentylsulfanyl)phenoxy]butyl]benzoate Openeye Name: methyl 4-[3-oxo-4-[4-(5-phenylpentylsulfanyl)phenoxy]butyl]benzoate CAS Name: 4-[3-oxo-4-[4-(5-phenylpentylthio)phenoxy]butyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-oxo-4-[4-(5-phenylpentylsulfanyl)phenoxy]butyl]benzoate Traditional Name: 4-[3-keto-4-[4-(5-phenylpentylthio)phenoxy]butyl]benzoic acid methyl ester Formula: C29H32O4S MolecularWeight: 476.62698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCC(=O)COC2=CC=C(C=C2)SCCCCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCC(=O)COC2=CC=C(C=C2)SCCCCCC3=CC=CC=C3

InChI

InChI=1S/C29H32O4S/c1-32-29(31)25-14-11-24(12-15-25)13-16-26(30)22-33-27-17-19-28(20-18-27)34-21-7-3-6-10-23-8-4-2-5-9-23/h2,4-5,8-9,11-12,14-15,17-20H,3,6-7,10,13,16,21-22H2,1H3