4-[[6-[3-(3,4-dimethylphenyl)prop-1-ynyl]-4-oxidanylidene-chromen-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-[3-(3,4-dimethylphenyl)prop-1-ynyl]-4-oxidanylidene-chromen-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[3-(3,4-dimethylphenyl)prop-1-ynyl]-4-oxo-chromen-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[3-(3,4-dimethylphenyl)prop-1-ynyl]-4-oxo-1-benzopyran-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-[3-(3,4-dimethylphenyl)prop-1-ynyl]-4-oxochromen-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-[3-(3,4-dimethylphenyl)prop-1-ynyl]-4-keto-chromen-3-yl]methyl]benzoic acid Formula: C28H22O4 MolecularWeight: 422.47188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC#CC2=CC3=C(C=C2)OC=C(C3=O)CC4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC#CC2=CC3=C(C=C2)OC=C(C3=O)CC4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C28H22O4/c1-18-6-7-20(14-19(18)2)4-3-5-21-10-13-26-25(16-21)27(29)24(17-32-26)15-22-8-11-23(12-9-22)28(30)31/h6-14,16-17H,4,15H2,1-2H3,(H,30,31)