(1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-methoxyethyl)benzoate

Systemtic Name: (1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-methoxyethyl)benzoate Openeye Name: (1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-methoxyethyl)benzoate CAS Name: 4-(1-methoxyethyl)benzoic acid (1-nonyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-nonyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-methoxyethyl)benzoate Traditional Name: 4-(1-methoxyethyl)benzoic acid (1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C31H40O3 MolecularWeight: 460.6475

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OC

Isomeric SMILES

CCCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OC

InChI

InChI=1S/C31H40O3/c1-4-5-6-7-8-9-13-22-31(23-20-28(21-24-31)27-14-11-10-12-15-27)34-30(32)29-18-16-26(17-19-29)25(2)33-3/h10-12,14-21,23-25,28H,4-9,13,22H2,1-3H3