sodium 3-methylazulene-1-sulfonate

Systemtic Name: sodium 3-methylazulene-1-sulfonate Openeye Name: sodium 3-methylazulene-1-sulfonate CAS Name: sodium 3-methyl-1-azulenesulfonate IUPAC Name: sodium 3-methylazulene-1-sulfonate Traditional Name: sodium 3-methylazulene-1-sulfonate Formula: C11H9NaO3S MolecularWeight: 244.24213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10O3S.Na/c1-8-7-11(15(12,13)14)10-6-4-2-3-5-9(8)10;/h2-7H,1H3,(H,12,13,14);/q;+1/p-1