9-cyclopropylnonyl (E)-3-(4-octoxyphenyl)prop-2-enoate

Systemtic Name: 9-cyclopropylnonyl (E)-3-(4-octoxyphenyl)prop-2-enoate Openeye Name: 9-cyclopropylnonyl (E)-3-(4-octoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-octoxyphenyl)-2-propenoic acid 9-cyclopropylnonyl ester IUPAC Name: 9-cyclopropylnonyl (E)-3-(4-octoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-octoxyphenyl)acrylic acid 9-cyclopropylnonyl ester Formula: C29H46O3 MolecularWeight: 442.67374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=CC(=O)OCCCCCCCCCC2CC2

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C/C(=O)OCCCCCCCCCC2CC2

InChI

InChI=1S/C29H46O3/c1-2-3-4-5-10-13-24-31-28-21-18-27(19-22-28)20-23-29(30)32-25-14-11-8-6-7-9-12-15-26-16-17-26/h18-23,26H,2-17,24-25H2,1H3/b23-20+