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

Systemtic Name: (1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-nonoxyethyl)benzoate Openeye Name: (1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-nonoxyethyl)benzoate CAS Name: 4-(1-nonoxyethyl)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-nonoxyethyl)benzoate Traditional Name: 4-(1-nonoxyethyl)benzoic acid (1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C38H54O4 MolecularWeight: 574.83296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)OCCCCCCCC

InChI

InChI=1S/C38H54O4/c1-4-6-8-10-12-13-18-30-40-32(3)33-22-24-36(25-23-33)37(39)42-38(41-31-19-14-11-9-7-5-2)28-26-35(27-29-38)34-20-16-15-17-21-34/h15-17,20-29,32,35H,4-14,18-19,30-31H2,1-3H3