sodium 2-(5,6,7-trimethyl-9-oxidanylidene-xanthen-4-yl)ethanoate

Systemtic Name: sodium 2-(5,6,7-trimethyl-9-oxidanylidene-xanthen-4-yl)ethanoate Openeye Name: sodium 2-(5,6,7-trimethyl-9-oxo-xanthen-4-yl)acetate CAS Name: sodium 2-(5,6,7-trimethyl-9-oxo-4-xanthenyl)acetate IUPAC Name: sodium 2-(5,6,7-trimethyl-9-oxoxanthen-4-yl)acetate Traditional Name: sodium 2-(9-keto-5,6,7-trimethyl-xanthen-4-yl)acetate Formula: C18H15NaO4 MolecularWeight: 318.29907

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)C(=O)C3=C(O2)C(=CC=C3)CC(=O)[O-])C)C.[Na+]

Isomeric SMILES

CC1=C(C(=C2C(=C1)C(=O)C3=C(O2)C(=CC=C3)CC(=O)[O-])C)C.[Na+]

InChI

InChI=1S/C18H16O4.Na/c1-9-7-14-16(21)13-6-4-5-12(8-15(19)20)18(13)22-17(14)11(3)10(9)2;/h4-7H,8H2,1-3H3,(H,19,20);/q;+1/p-1