[2,4,5-trimethyl-3-(2,3,6-trimethyl-5-pentanoyloxy-phenyl)sulfanyl-phenyl] pentanoate

Systemtic Name: [2,4,5-trimethyl-3-(2,3,6-trimethyl-5-pentanoyloxy-phenyl)sulfanyl-phenyl] pentanoate Openeye Name: [2,4,5-trimethyl-3-(2,3,6-trimethyl-5-pentanoyloxy-phenyl)sulfanyl-phenyl] pentanoate CAS Name: pentanoic acid [2,4,5-trimethyl-3-[[2,3,6-trimethyl-5-(1-oxopentoxy)phenyl]thio]phenyl] ester IUPAC Name: [2,4,5-trimethyl-3-(2,3,6-trimethyl-5-pentanoyloxyphenyl)sulfanylphenyl] pentanoate Traditional Name: valeric acid [2,4,5-trimethyl-3-[(2,3,6-trimethyl-5-valeryloxy-phenyl)thio]phenyl] ester Formula: C28H38O4S MolecularWeight: 470.66392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C(=C(C(=C1)C)C)SC2=C(C(=CC(=C2C)OC(=O)CCCC)C)C)C

Isomeric SMILES

CCCCC(=O)OC1=C(C(=C(C(=C1)C)C)SC2=C(C(=CC(=C2C)OC(=O)CCCC)C)C)C

InChI

InChI=1S/C28H38O4S/c1-9-11-13-25(29)31-23-15-17(3)19(5)27(21(23)7)33-28-20(6)18(4)16-24(22(28)8)32-26(30)14-12-10-2/h15-16H,9-14H2,1-8H3