[11-(4-ethoxy-3-propoxy-phenyl)-13-methyl-12-oxidanylidene-tetradec-13-enyl] prop-2-enoate

Systemtic Name: [11-(4-ethoxy-3-propoxy-phenyl)-13-methyl-12-oxidanylidene-tetradec-13-enyl] prop-2-enoate Openeye Name: [11-(4-ethoxy-3-propoxy-phenyl)-13-methyl-12-oxo-tetradec-13-enyl] prop-2-enoate CAS Name: 2-propenoic acid [11-(4-ethoxy-3-propoxyphenyl)-13-methyl-12-oxotetradec-13-enyl] ester IUPAC Name: [11-(4-ethoxy-3-propoxyphenyl)-13-methyl-12-oxotetradec-13-enyl] prop-2-enoate Traditional Name: acrylic acid [11-(4-ethoxy-3-propoxy-phenyl)-12-keto-13-methyl-tetradec-13-enyl] ester Formula: C29H44O5 MolecularWeight: 472.65666

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C(CCCCCCCCCCOC(=O)C=C)C(=O)C(=C)C)OCC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)C(CCCCCCCCCCOC(=O)C=C)C(=O)C(=C)C)OCC

InChI

InChI=1S/C29H44O5/c1-6-20-33-27-22-24(18-19-26(27)32-8-3)25(29(31)23(4)5)17-15-13-11-9-10-12-14-16-21-34-28(30)7-2/h7,18-19,22,25H,2,4,6,8-17,20-21H2,1,3,5H3