(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate
[CAS# 85801-02-1]

Identification

• Name: (2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate
• Synonyms: 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 3,7,11-trimethyl-2,6,10-dodecatrienyl ester; 3,7,11-Trimethyl-2,6,10-dodecatrienyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate; IMF
• Molecular Formula: C₃₄H₄₀ClNO₄
• Molecular Weight: 562.14
• CAS Registry Number: 85801-02-1
• SMILES: Clc1ccc(cc1)C(=O)n3c2ccc(OC)cc2c(c3C)CC(=O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C
• InChI: 1S/C34H40ClNO4/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-20-40-33(37)22-30-26(5)36(32-18-17-29(39-6)21-31(30)32)34(38)27-13-15-28(35)16-14-27/h9,11,13-19,21H,7-8,10,12,20,22H2,1-6H3/b24-11+,25-19+
• InChIKey: CFIGYZZVJNJVDQ-LMJOQDENSA-N

Properties

• Density: 1.089g/cm³ (Cal.)
• Boiling point: 626.584°C at 760 mmHg (Cal.)
• Flash point: 332.746°C (Cal.)