2,4-dimethoxy-3-(3-methylbutyl)-6-[(E)-2-phenylethenyl]benzoic acid

Systemtic Name: 2,4-dimethoxy-3-(3-methylbutyl)-6-[(E)-2-phenylethenyl]benzoic acid Openeye Name: 3-isopentyl-2,4-dimethoxy-6-[(E)-styryl]benzoic acid CAS Name: 2,4-dimethoxy-3-(3-methylbutyl)-6-[(E)-2-phenylethenyl]benzoic acid IUPAC Name: 2,4-dimethoxy-3-(3-methylbutyl)-6-[(E)-2-phenylethenyl]benzoic acid Traditional Name: 3-isoamyl-2,4-dimethoxy-6-[(E)-styryl]benzoic acid Formula: C22H26O4 MolecularWeight: 354.43944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C=C(C(=C1OC)C(=O)O)C=CC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)CCC1=C(C=C(C(=C1OC)C(=O)O)/C=C/C2=CC=CC=C2)OC

InChI

InChI=1S/C22H26O4/c1-15(2)10-13-18-19(25-3)14-17(20(22(23)24)21(18)26-4)12-11-16-8-6-5-7-9-16/h5-9,11-12,14-15H,10,13H2,1-4H3,(H,23,24)/b12-11+