1-heptoxypropyl 4-(4-octoxyphenyl)benzoate

Systemtic Name: 1-heptoxypropyl 4-(4-octoxyphenyl)benzoate Openeye Name: 1-heptoxypropyl 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid 1-heptoxypropyl ester IUPAC Name: 1-heptoxypropyl 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid 1-heptoxypropyl ester Formula: C31H46O4 MolecularWeight: 482.69454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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