2-methylheptyl 4-[(E)-2-(4-octoxyphenyl)ethenyl]benzoate

Systemtic Name: 2-methylheptyl 4-[(E)-2-(4-octoxyphenyl)ethenyl]benzoate Openeye Name: 2-methylheptyl 4-[(E)-2-(4-octoxyphenyl)vinyl]benzoate CAS Name: 4-[(E)-2-(4-octoxyphenyl)ethenyl]benzoic acid 2-methylheptyl ester IUPAC Name: 2-methylheptyl 4-[(E)-2-(4-octoxyphenyl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(4-octoxyphenyl)vinyl]benzoic acid 2-methylheptyl ester Formula: C31H44O3 MolecularWeight: 464.67926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=CC2=CC=C(C=C2)C(=O)OCC(C)CCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C(=O)OCC(C)CCCCC

InChI

InChI=1S/C31H44O3/c1-4-6-8-9-10-12-24-33-30-22-18-28(19-23-30)15-14-27-16-20-29(21-17-27)31(32)34-25-26(3)13-11-7-5-2/h14-23,26H,4-13,24-25H2,1-3H3/b15-14+