2-(6-chloranyl-5-methyl-9-oxidanylidene-xanthen-4-yl)ethanoic acid; sodium

Systemtic Name: 2-(6-chloranyl-5-methyl-9-oxidanylidene-xanthen-4-yl)ethanoic acid; sodium Openeye Name: 2-(6-chloro-5-methyl-9-oxo-xanthen-4-yl)acetic acid; sodium CAS Name: 2-(6-chloro-5-methyl-9-oxo-4-xanthenyl)acetic acid; sodium IUPAC Name: 2-(6-chloro-5-methyl-9-oxoxanthen-4-yl)acetic acid; sodium Traditional Name: 2-(6-chloro-9-keto-5-methyl-xanthen-4-yl)acetic acid; sodium Formula: C16H11ClNaO4 MolecularWeight: 325.69891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC3=C(C2=O)C=CC=C3CC(=O)O)Cl.[Na]

Isomeric SMILES

CC1=C(C=CC2=C1OC3=C(C2=O)C=CC=C3CC(=O)O)Cl.[Na]

InChI

InChI=1S/C16H11ClO4.Na/c1-8-12(17)6-5-11-14(20)10-4-2-3-9(7-13(18)19)16(10)21-15(8)11;/h2-6H,7H2,1H3,(H,18,19);