methyl 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-3-methyl-butanoate

Systemtic Name: methyl 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-3-methyl-butanoate Openeye Name: methyl 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-(3-methoxy-3-oxo-propyl)sulfanyl-3-methyl-butanoate CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]-4-[(3-methoxy-3-oxopropyl)thio]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]-4-(3-methoxy-3-oxopropyl)sulfanyl-3-methylbutanoate Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-[(3-keto-3-methoxy-propyl)thio]-3-methyl-butyric acid methyl ester Formula: C30H40O9S2 MolecularWeight: 608.7632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCS(=O)(=O)C2=CC=C(C=C2)C(C(C)CC(=O)OC)SCCC(=O)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCS(=O)(=O)C2=CC=C(C=C2)C(C(C)CC(=O)OC)SCCC(=O)OC

InChI

InChI=1S/C30H40O9S2/c1-6-8-25-26(14-13-24(21(3)31)29(25)34)39-16-7-18-41(35,36)23-11-9-22(10-12-23)30(20(2)19-28(33)38-5)40-17-15-27(32)37-4/h9-14,20,30,34H,6-8,15-19H2,1-5H3