(2R)-2-(5-methyl-9-oxidanylidene-xanthen-4-yl)propanoic acid; sodium

Systemtic Name: (2R)-2-(5-methyl-9-oxidanylidene-xanthen-4-yl)propanoic acid; sodium Openeye Name: (2R)-2-(5-methyl-9-oxo-xanthen-4-yl)propanoic acid; sodium CAS Name: (2R)-2-(5-methyl-9-oxo-4-xanthenyl)propanoic acid; sodium IUPAC Name: (2R)-2-(5-methyl-9-oxoxanthen-4-yl)propanoic acid; sodium Traditional Name: (2R)-2-(9-keto-5-methyl-xanthen-4-yl)propionic acid; sodium Formula: C17H14NaO4 MolecularWeight: 305.28043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC3=C(C2=O)C=CC=C3C(C)C(=O)O.[Na]

Isomeric SMILES

CC1=CC=CC2=C1OC3=C(C2=O)C=CC=C3[C@@H](C)C(=O)O.[Na]

InChI

InChI=1S/C17H14O4.Na/c1-9-5-3-7-12-14(18)13-8-4-6-11(10(2)17(19)20)16(13)21-15(9)12;/h3-8,10H,1-2H3,(H,19,20);/t10-;/m1./s1