3-(1-heptoxypropyl)-4-(4-octoxyphenyl)benzoate

Systemtic Name: 3-(1-heptoxypropyl)-4-(4-octoxyphenyl)benzoate Openeye Name: 3-(1-heptoxypropyl)-4-(4-octoxyphenyl)benzoate CAS Name: 3-(1-heptoxypropyl)-4-(4-octoxyphenyl)benzoate IUPAC Name: 3-(1-heptoxypropyl)-4-(4-octoxyphenyl)benzoate Traditional Name: 3-(1-heptoxypropyl)-4-(4-octoxyphenyl)benzoate Formula: C31H45O4- MolecularWeight: 481.6866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)[O-])C(CC)OCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)[O-])C(CC)OCCCCCCC

InChI

InChI=1S/C31H46O4/c1-4-7-9-11-13-14-22-34-27-19-16-25(17-20-27)28-21-18-26(31(32)33)24-29(28)30(6-3)35-23-15-12-10-8-5-2/h16-21,24,30H,4-15,22-23H2,1-3H3,(H,32,33)/p-1