(1-pentadecoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexoxyethyl)benzoate

Systemtic Name: (1-pentadecoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexoxyethyl)benzoate Openeye Name: (1-pentadecoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexoxyethyl)benzoate CAS Name: 4-(1-hexoxyethyl)benzoic acid (1-pentadecoxy-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-pentadecoxy-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-hexoxyethyl)benzoate Traditional Name: 4-(1-hexoxyethyl)benzoic acid (1-pentadecoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C42H62O4 MolecularWeight: 630.93928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCCCC

InChI

InChI=1S/C42H62O4/c1-4-6-8-10-11-12-13-14-15-16-17-18-23-35-45-42(32-30-39(31-33-42)38-24-20-19-21-25-38)46-41(43)40-28-26-37(27-29-40)36(3)44-34-22-9-7-5-2/h19-21,24-33,36,39H,4-18,22-23,34-35H2,1-3H3