4,5-dimethyl-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 4,5-dimethyl-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 2-(3-hydroxy-6-oxo-xanthen-9-yl)-4,5-dimethyl-benzoic acid CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)-4,5-dimethylbenzoic acid IUPAC Name: 2-(3-hydroxy-6-oxoxanthen-9-yl)-4,5-dimethylbenzoic acid Traditional Name: 2-(3-hydroxy-6-keto-xanthen-9-yl)-4,5-dimethyl-benzoic acid Formula: C22H16O5 MolecularWeight: 360.35944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O)C

InChI

InChI=1S/C22H16O5/c1-11-7-17(18(22(25)26)8-12(11)2)21-15-5-3-13(23)9-19(15)27-20-10-14(24)4-6-16(20)21/h3-10,23H,1-2H3,(H,25,26)