(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-heptoxyethyl)benzoate

Systemtic Name: (1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-heptoxyethyl)benzoate Openeye Name: (1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-heptoxyethyl)benzoate CAS Name: 4-(1-heptoxyethyl)benzoic acid (1-octoxy-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-octoxy-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-heptoxyethyl)benzoate Traditional Name: 4-(1-heptoxyethyl)benzoic acid (1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C36H50O4 MolecularWeight: 546.7798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCCCCC

Isomeric SMILES

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCCCCC

InChI

InChI=1S/C36H50O4/c1-4-6-8-10-12-17-29-39-36(26-24-33(25-27-36)32-18-14-13-15-19-32)40-35(37)34-22-20-31(21-23-34)30(3)38-28-16-11-9-7-5-2/h13-15,18-27,30,33H,4-12,16-17,28-29H2,1-3H3