phenyl 3-[bis[4-(2-methylpropyl)phenyl]methylsulfanyl]benzoate

Systemtic Name: phenyl 3-[bis[4-(2-methylpropyl)phenyl]methylsulfanyl]benzoate Openeye Name: phenyl 3-[bis(4-isobutylphenyl)methylsulfanyl]benzoate CAS Name: 3-[bis[4-(2-methylpropyl)phenyl]methylthio]benzoic acid phenyl ester IUPAC Name: phenyl 3-[bis[4-(2-methylpropyl)phenyl]methylsulfanyl]benzoate Traditional Name: 3-[bis(4-isobutylphenyl)methylthio]benzoic acid phenyl ester Formula: C34H36O2S MolecularWeight: 508.71344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC(C)C)SC3=CC=CC(=C3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC(C)C)SC3=CC=CC(=C3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C34H36O2S/c1-24(2)21-26-13-17-28(18-14-26)33(29-19-15-27(16-20-29)22-25(3)4)37-32-12-8-9-30(23-32)34(35)36-31-10-6-5-7-11-31/h5-20,23-25,33H,21-22H2,1-4H3