methyl 4-[8-methoxy-8-oxidanylidene-1-[2-(5-phenylpentoxy)phenyl]octan-3-yl]sulfanylbenzoate

Systemtic Name: methyl 4-[8-methoxy-8-oxidanylidene-1-[2-(5-phenylpentoxy)phenyl]octan-3-yl]sulfanylbenzoate Openeye Name: methyl 4-[6-methoxy-6-oxo-1-[2-[2-(5-phenylpentoxy)phenyl]ethyl]hexyl]sulfanylbenzoate CAS Name: 4-[[8-methoxy-8-oxo-1-[2-(5-phenylpentoxy)phenyl]octan-3-yl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[8-methoxy-8-oxo-1-[2-(5-phenylpentoxy)phenyl]octan-3-yl]sulfanylbenzoate Traditional Name: 4-[[6-keto-6-methoxy-1-[2-[2-(5-phenylpentoxy)phenyl]ethyl]hexyl]thio]benzoic acid methyl ester Formula: C34H42O5S MolecularWeight: 562.75928

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(CCC1=CC=CC=C1OCCCCCC2=CC=CC=C2)SC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC(=O)CCCCC(CCC1=CC=CC=C1OCCCCCC2=CC=CC=C2)SC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C34H42O5S/c1-37-33(35)19-11-9-17-30(40-31-24-21-29(22-25-31)34(36)38-2)23-20-28-16-8-10-18-32(28)39-26-12-4-7-15-27-13-5-3-6-14-27/h3,5-6,8,10,13-14,16,18,21-22,24-25,30H,4,7,9,11-12,15,17,19-20,23,26H2,1-2H3