sodium 2-methyl-1,4-bis(oxidanylidene)-3H-naphthalene-2-sulfonate hydrate

Systemtic Name: sodium 2-methyl-1,4-bis(oxidanylidene)-3H-naphthalene-2-sulfonate hydrate Openeye Name: sodium 2-methyl-1,4-dioxo-tetralin-2-sulfonate hydrate CAS Name: sodium 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonate hydrate IUPAC Name: sodium 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonate hydrate Traditional Name: sodium 1,4-diketo-2-methyl-tetralin-2-sulfonate hydrate Formula: C11H11NaO6S MolecularWeight: 294.25621

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=CC=CC=C2C1=O)S(=O)(=O)[O-].O.[Na+]

Isomeric SMILES

CC1(CC(=O)C2=CC=CC=C2C1=O)S(=O)(=O)[O-].O.[Na+]

InChI

InChI=1S/C11H10O5S.Na.H2O/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;;/h2-5H,6H2,1H3,(H,14,15,16);;1H2/q;+1;/p-1