[2,4,5-trimethyl-3-(2,3,6-trimethyl-5-octanoyloxy-phenyl)sulfanyl-phenyl] octanoate

Systemtic Name: [2,4,5-trimethyl-3-(2,3,6-trimethyl-5-octanoyloxy-phenyl)sulfanyl-phenyl] octanoate Openeye Name: [2,4,5-trimethyl-3-(2,3,6-trimethyl-5-octanoyloxy-phenyl)sulfanyl-phenyl] octanoate CAS Name: octanoic acid [2,4,5-trimethyl-3-[[2,3,6-trimethyl-5-(1-oxooctoxy)phenyl]thio]phenyl] ester IUPAC Name: [2,4,5-trimethyl-3-(2,3,6-trimethyl-5-octanoyloxyphenyl)sulfanylphenyl] octanoate Traditional Name: caprylic acid [3-[(3-caprylyloxy-2,5,6-trimethyl-phenyl)thio]-2,4,5-trimethyl-phenyl] ester Formula: C34H50O4S MolecularWeight: 554.8234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H50O4S/c1-9-11-13-15-17-19-31(35)37-29-21-23(3)25(5)33(27(29)7)39-34-26(6)24(4)22-30(28(34)8)38-32(36)20-18-16-14-12-10-2/h21-22H,9-20H2,1-8H3