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

Systemtic Name: hexan-2-yl 2-[4-(4-hexadecoxyphenyl)phenyl]carbonyloxybenzoate Openeye Name: 1-methylpentyl 2-[4-(4-hexadecoxyphenyl)benzoyl]oxybenzoate CAS Name: 2-[[4-(4-hexadecoxyphenyl)phenyl]-oxomethoxy]benzoic acid hexan-2-yl ester IUPAC Name: hexan-2-yl 2-[4-(4-hexadecoxyphenyl)benzoyl]oxybenzoate Traditional Name: 2-[4-(4-cetyloxyphenyl)benzoyl]oxybenzoic acid 1-methylpentyl ester Formula: C42H58O5 MolecularWeight: 642.90692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(=O)OC(C)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(=O)OC(C)CCCC

InChI

InChI=1S/C42H58O5/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-21-33-45-38-31-29-36(30-32-38)35-25-27-37(28-26-35)41(43)47-40-24-20-19-23-39(40)42(44)46-34(3)22-7-5-2/h19-20,23-32,34H,4-18,21-22,33H2,1-3H3