ethanoic acid; 2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: ethanoic acid; 2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: acetic acid; 2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: acetic acid; 2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: acetic acid; 2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: acetic acid; 2-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C22H16O7 MolecularWeight: 392.35824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12O5.C2H4O2/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24;1-2(3)4/h1-10,21H,(H,23,24);1H3,(H,3,4)