5-[6-[2-methoxy-4-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)phenyl]peroxyhexyl]-2-(4-pentylphenyl)carbonyloxy-benzoic acid

Systemtic Name: 5-[6-[2-methoxy-4-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)phenyl]peroxyhexyl]-2-(4-pentylphenyl)carbonyloxy-benzoic acid Openeye Name: 5-[6-[2-methoxy-4-(1-methoxycarbonylvinyl)phenyl]peroxyhexyl]-2-(4-pentylbenzoyl)oxy-benzoic acid CAS Name: 5-[6-[2-methoxy-4-(3-methoxy-3-oxoprop-1-en-2-yl)phenyl]dioxyhexyl]-2-[oxo-(4-pentylphenyl)methoxy]benzoic acid IUPAC Name: 5-[6-[2-methoxy-4-(3-methoxy-3-oxoprop-1-en-2-yl)phenyl]peroxyhexyl]-2-(4-pentylbenzoyl)oxybenzoic acid Traditional Name: 2-(4-amylbenzoyl)oxy-5-[6-[4-(1-carbomethoxyvinyl)-2-methoxy-phenyl]peroxyhexyl]benzoic acid Formula: C36H42O9 MolecularWeight: 618.71328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCCCCCOOC3=C(C=C(C=C3)C(=C)C(=O)OC)OC)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCCCCCOOC3=C(C=C(C=C3)C(=C)C(=O)OC)OC)C(=O)O

InChI

InChI=1S/C36H42O9/c1-5-6-9-12-26-14-17-28(18-15-26)36(40)44-31-20-16-27(23-30(31)34(37)38)13-10-7-8-11-22-43-45-32-21-19-29(24-33(32)41-3)25(2)35(39)42-4/h14-21,23-24H,2,5-13,22H2,1,3-4H3,(H,37,38)