4-[(E)-3-(4,4-dimethyl-2,3-dihydrochromen-8-yl)-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-(4,4-dimethyl-2,3-dihydrochromen-8-yl)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-(4,4-dimethylchroman-8-yl)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-8-yl)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(4,4-dimethyl-2,3-dihydrochromen-8-yl)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-(4,4-dimethylchroman-8-yl)-3-keto-prop-1-enyl]benzoic acid Formula: C21H20O4 MolecularWeight: 336.3811

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCOC2=C(C=CC=C21)C(=O)C=CC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1(CCOC2=C(C=CC=C21)C(=O)/C=C/C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C21H20O4/c1-21(2)12-13-25-19-16(4-3-5-17(19)21)18(22)11-8-14-6-9-15(10-7-14)20(23)24/h3-11H,12-13H2,1-2H3,(H,23,24)/b11-8+