[3-(3-heptanoyloxy-2,5,6-trimethyl-phenyl)sulfanyl-2,4,5-trimethyl-phenyl] heptanoate

Systemtic Name: [3-(3-heptanoyloxy-2,5,6-trimethyl-phenyl)sulfanyl-2,4,5-trimethyl-phenyl] heptanoate Openeye Name: [3-(3-heptanoyloxy-2,5,6-trimethyl-phenyl)sulfanyl-2,4,5-trimethyl-phenyl] heptanoate CAS Name: heptanoic acid [2,4,5-trimethyl-3-[[2,3,6-trimethyl-5-(1-oxoheptoxy)phenyl]thio]phenyl] ester IUPAC Name: [3-(3-heptanoyloxy-2,5,6-trimethylphenyl)sulfanyl-2,4,5-trimethylphenyl] heptanoate Traditional Name: enanthic acid [3-[(3-enanthyloxy-2,5,6-trimethyl-phenyl)thio]-2,4,5-trimethyl-phenyl] ester Formula: C32H46O4S MolecularWeight: 526.77024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=C(C(=C(C(=C1)C)C)SC2=C(C(=CC(=C2C)OC(=O)CCCCCC)C)C)C

Isomeric SMILES

CCCCCCC(=O)OC1=C(C(=C(C(=C1)C)C)SC2=C(C(=CC(=C2C)OC(=O)CCCCCC)C)C)C

InChI

InChI=1S/C32H46O4S/c1-9-11-13-15-17-29(33)35-27-19-21(3)23(5)31(25(27)7)37-32-24(6)22(4)20-28(26(32)8)36-30(34)18-16-14-12-10-2/h19-20H,9-18H2,1-8H3