sodium 9,10-dimethoxyanthracene-2-sulfonate hydrate

Systemtic Name: sodium 9,10-dimethoxyanthracene-2-sulfonate hydrate Openeye Name: sodium 9,10-dimethoxyanthracene-2-sulfonate hydrate CAS Name: sodium 9,10-dimethoxy-2-anthracenesulfonate hydrate IUPAC Name: sodium 9,10-dimethoxyanthracene-2-sulfonate hydrate Traditional Name: sodium 9,10-dimethoxyanthracene-2-sulfonate hydrate Formula: C16H15NaO6S MolecularWeight: 358.34147

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OC)S(=O)(=O)[O-].O.[Na+]

Isomeric SMILES

COC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OC)S(=O)(=O)[O-].O.[Na+]

InChI

InChI=1S/C16H14O5S.Na.H2O/c1-20-15-11-5-3-4-6-12(11)16(21-2)14-9-10(22(17,18)19)7-8-13(14)15;;/h3-9H,1-2H3,(H,17,18,19);;1H2/q;+1;/p-1