sodium 4-methylcyclohexa-1,3-dien-5-yne-1-sulfonate

Systemtic Name: sodium 4-methylcyclohexa-1,3-dien-5-yne-1-sulfonate Openeye Name: sodium 4-methylcyclohexa-1,3-dien-5-yne-1-sulfonate CAS Name: sodium 4-methyl-1-cyclohexa-1,3-dien-5-ynesulfonate IUPAC Name: sodium 4-methylcyclohexa-1,3-dien-5-yne-1-sulfonate Traditional Name: sodium 4-methylcyclohexa-1,3-dien-5-yne-1-sulfonate Formula: C7H5NaO3S MolecularWeight: 192.16757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C#C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C#C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C7H6O3S.Na/c1-6-2-4-7(5-3-6)11(8,9)10;/h2,4H,1H3,(H,8,9,10);/q;+1/p-1