3,4-dimethyl-2-(3H-xanthen-9-yl)benzoic acid

Systemtic Name: 3,4-dimethyl-2-(3H-xanthen-9-yl)benzoic acid Openeye Name: 3,4-dimethyl-2-(3H-xanthen-9-yl)benzoic acid CAS Name: 3,4-dimethyl-2-(3H-xanthen-9-yl)benzoic acid IUPAC Name: 3,4-dimethyl-2-(3H-xanthen-9-yl)benzoic acid Traditional Name: 3,4-dimethyl-2-(3H-xanthen-9-yl)benzoic acid Formula: C22H18O3 MolecularWeight: 330.37652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)O)C2=C3C=CCC=C3OC4=CC=CC=C42)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)O)C2=C3C=CCC=C3OC4=CC=CC=C42)C

InChI

InChI=1S/C22H18O3/c1-13-11-12-17(22(23)24)20(14(13)2)21-15-7-3-5-9-18(15)25-19-10-6-4-8-16(19)21/h3-5,7-12H,6H2,1-2H3,(H,23,24)