[3-methyl-4-[4-(6-sulfanylhexoxy)phenyl]carbonyloxy-phenyl] 4-hex-5-enoxybenzoate

Systemtic Name: [3-methyl-4-[4-(6-sulfanylhexoxy)phenyl]carbonyloxy-phenyl] 4-hex-5-enoxybenzoate Openeye Name: [3-methyl-4-[4-(6-sulfanylhexoxy)benzoyl]oxy-phenyl] 4-hex-5-enoxybenzoate CAS Name: 4-hex-5-enoxybenzoic acid [4-[[4-(6-mercaptohexoxy)phenyl]-oxomethoxy]-3-methylphenyl] ester IUPAC Name: [3-methyl-4-[4-(6-sulfanylhexoxy)benzoyl]oxyphenyl] 4-hex-5-enoxybenzoate Traditional Name: 4-hex-5-enoxybenzoic acid [4-[4-(6-mercaptohexoxy)benzoyl]oxy-3-methyl-phenyl] ester Formula: C33H38O6S MolecularWeight: 562.71622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OCCCCC=C)OC(=O)C3=CC=C(C=C3)OCCCCCCS

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OCCCCC=C)OC(=O)C3=CC=C(C=C3)OCCCCCCS

InChI

InChI=1S/C33H38O6S/c1-3-4-5-8-21-36-28-15-11-26(12-16-28)32(34)38-30-19-20-31(25(2)24-30)39-33(35)27-13-17-29(18-14-27)37-22-9-6-7-10-23-40/h3,11-20,24,40H,1,4-10,21-23H2,2H3