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

Systemtic Name: (1-dodecoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-heptoxyethyl)benzoate Openeye Name: (1-dodecoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-heptoxyethyl)benzoate CAS Name: 4-(1-heptoxyethyl)benzoic acid (1-dodecoxy-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-dodecoxy-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-heptoxyethyl)benzoate Traditional Name: 4-(1-heptoxyethyl)benzoic acid (1-lauryloxy-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C40H58O4 MolecularWeight: 602.88612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCCCCC

InChI

InChI=1S/C40H58O4/c1-4-6-8-10-11-12-13-14-16-21-33-43-40(30-28-37(29-31-40)36-22-18-17-19-23-36)44-39(41)38-26-24-35(25-27-38)34(3)42-32-20-15-9-7-5-2/h17-19,22-31,34,37H,4-16,20-21,32-33H2,1-3H3