4-[(E)-1-(4,4-dimethyl-2,3-dihydrochromen-6-yl)-4,4-dimethoxy-but-1-en-2-yl]benzoic acid

Systemtic Name: 4-[(E)-1-(4,4-dimethyl-2,3-dihydrochromen-6-yl)-4,4-dimethoxy-but-1-en-2-yl]benzoic acid Openeye Name: 4-[(1E)-1-[(4,4-dimethylchroman-6-yl)methylene]-3,3-dimethoxy-propyl]benzoic acid CAS Name: 4-[(E)-1-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-4,4-dimethoxybut-1-en-2-yl]benzoic acid IUPAC Name: 4-[(E)-1-(4,4-dimethyl-2,3-dihydrochromen-6-yl)-4,4-dimethoxybut-1-en-2-yl]benzoic acid Traditional Name: 4-[(E)-1-(2,2-dimethoxyethyl)-2-(4,4-dimethylchroman-6-yl)vinyl]benzoic acid Formula: C24H28O5 MolecularWeight: 396.47612

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCOC2=C1C=C(C=C2)C=C(CC(OC)OC)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1(CCOC2=C1C=C(C=C2)/C=C(\CC(OC)OC)/C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C24H28O5/c1-24(2)11-12-29-21-10-5-16(14-20(21)24)13-19(15-22(27-3)28-4)17-6-8-18(9-7-17)23(25)26/h5-10,13-14,22H,11-12,15H2,1-4H3,(H,25,26)/b19-13+