2-(3,6-dimethyl-3H-xanthen-9-yl)benzoic acid

Systemtic Name: 2-(3,6-dimethyl-3H-xanthen-9-yl)benzoic acid Openeye Name: 2-(3,6-dimethyl-3H-xanthen-9-yl)benzoic acid CAS Name: 2-(3,6-dimethyl-3H-xanthen-9-yl)benzoic acid IUPAC Name: 2-(3,6-dimethyl-3H-xanthen-9-yl)benzoic acid Traditional Name: 2-(3,6-dimethyl-3H-xanthen-9-yl)benzoic acid Formula: C22H18O3 MolecularWeight: 330.37652

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC2=C(C3=C(C=C(C=C3)C)OC2=C1)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1C=CC2=C(C3=C(C=C(C=C3)C)OC2=C1)C4=CC=CC=C4C(=O)O

InChI

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