hexan-2-yl 2-[4-(4-heptoxyphenyl)phenyl]carbonyloxybenzoate

Systemtic Name: hexan-2-yl 2-[4-(4-heptoxyphenyl)phenyl]carbonyloxybenzoate Openeye Name: 1-methylpentyl 2-[4-(4-heptoxyphenyl)benzoyl]oxybenzoate CAS Name: 2-[[4-(4-heptoxyphenyl)phenyl]-oxomethoxy]benzoic acid hexan-2-yl ester IUPAC Name: hexan-2-yl 2-[4-(4-heptoxyphenyl)benzoyl]oxybenzoate Traditional Name: 2-[4-(4-heptoxyphenyl)benzoyl]oxybenzoic acid 1-methylpentyl ester Formula: C33H40O5 MolecularWeight: 516.6677

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(=O)OC(C)CCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(=O)OC(C)CCCC

InChI

InChI=1S/C33H40O5/c1-4-6-8-9-12-24-36-29-22-20-27(21-23-29)26-16-18-28(19-17-26)32(34)38-31-15-11-10-14-30(31)33(35)37-25(3)13-7-5-2/h10-11,14-23,25H,4-9,12-13,24H2,1-3H3