benzene-1,2,3-triol; methanetrisulfonate

Systemtic Name: benzene-1,2,3-triol; methanetrisulfonate Openeye Name: benzene-1,2,3-triol; methanetrisulfonate CAS Name: benzene-1,2,3-triol; methanetrisulfonate IUPAC Name: benzene-1,2,3-triol; methanetrisulfonate Traditional Name: methanetrisulfonate; pyrogallol Formula: C7H7O12S3-3 MolecularWeight: 379.31828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)O)O)O.C(S(=O)(=O)[O-])(S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)O)O)O.C(S(=O)(=O)[O-])(S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C6H6O3.CH4O9S3/c7-4-2-1-3-5(8)6(4)9;2-11(3,4)1(12(5,6)7)13(8,9)10/h1-3,7-9H;1H,(H,2,3,4)(H,5,6,7)(H,8,9,10)/p-3