[1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecoxybenzoate

Systemtic Name: [1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecoxybenzoate Openeye Name: [1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecoxybenzoate CAS Name: 4-pentadecoxybenzoic acid [1-(1-butoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-butoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-pentadecoxybenzoate Traditional Name: 4-pentadecoxybenzoic acid [1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C40H58O4 MolecularWeight: 602.88612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCCC

InChI

InChI=1S/C40H58O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-21-33-43-38-26-24-37(25-27-38)39(41)44-40(34(3)42-32-7-5-2)30-28-36(29-31-40)35-22-19-18-20-23-35/h18-20,22-31,34,36H,4-17,21,32-33H2,1-3H3