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

Systemtic Name: sodium 2-methyl-1,4-bis(oxidanylidene)-3H-naphthalene-2-sulfonate trihydrate Openeye Name: sodium 2-methyl-1,4-dioxo-tetralin-2-sulfonate trihydrate CAS Name: sodium 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonate trihydrate IUPAC Name: sodium 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonate trihydrate Traditional Name: sodium 1,4-diketo-2-methyl-tetralin-2-sulfonate trihydrate Formula: C11H15NaO8S MolecularWeight: 330.28677

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10O5S.Na.3H2O/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);;3*1H2/q;+1;;;/p-1