(4-phenyl-1-propoxy-cyclohexa-2,5-dien-1-yl) 4-(1-pentadecoxyethyl)benzoate

Systemtic Name: (4-phenyl-1-propoxy-cyclohexa-2,5-dien-1-yl) 4-(1-pentadecoxyethyl)benzoate Openeye Name: (4-phenyl-1-propoxy-cyclohexa-2,5-dien-1-yl) 4-(1-pentadecoxyethyl)benzoate CAS Name: 4-(1-pentadecoxyethyl)benzoic acid (4-phenyl-1-propoxy-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (4-phenyl-1-propoxycyclohexa-2,5-dien-1-yl) 4-(1-pentadecoxyethyl)benzoate Traditional Name: 4-(1-pentadecoxyethyl)benzoic acid (4-phenyl-1-propoxy-cyclohexa-2,5-dien-1-yl) ester Formula: C39H56O4 MolecularWeight: 588.85954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)OCCC

Isomeric SMILES

CCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)OCCC

InChI

InChI=1S/C39H56O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-20-32-41-33(3)34-23-25-37(26-24-34)38(40)43-39(42-31-5-2)29-27-36(28-30-39)35-21-18-17-19-22-35/h17-19,21-30,33,36H,4-16,20,31-32H2,1-3H3