2-(5,6-dimethyl-9-oxidanylidene-xanthen-1-yl)ethanoic acid

Systemtic Name: 2-(5,6-dimethyl-9-oxidanylidene-xanthen-1-yl)ethanoic acid Openeye Name: 2-(5,6-dimethyl-9-oxo-xanthen-1-yl)acetic acid CAS Name: 2-(5,6-dimethyl-9-oxo-1-xanthenyl)acetic acid IUPAC Name: 2-(5,6-dimethyl-9-oxoxanthen-1-yl)acetic acid Traditional Name: 2-(9-keto-5,6-dimethyl-xanthen-1-yl)acetic acid Formula: C17H14O4 MolecularWeight: 282.29066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)C3=C(C=CC=C3O2)CC(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C3=C(C=CC=C3O2)CC(=O)O)C

InChI

InChI=1S/C17H14O4/c1-9-6-7-12-16(20)15-11(8-14(18)19)4-3-5-13(15)21-17(12)10(9)2/h3-7H,8H2,1-2H3,(H,18,19)