propan-2-yl 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate

Systemtic Name: propan-2-yl 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate Openeye Name: isopropyl 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate CAS Name: 2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate Traditional Name: 2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]benzoic acid isopropyl ester Formula: C25H36O2S MolecularWeight: 400.61714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=CC=C1SCC=C(C)CCC=C(C)CCC=C(C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC=CC=C1SC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C25H36O2S/c1-19(2)11-9-12-21(5)13-10-14-22(6)17-18-28-24-16-8-7-15-23(24)25(26)27-20(3)4/h7-8,11,13,15-17,20H,9-10,12,14,18H2,1-6H3/b21-13+,22-17+