2-methyl-2-[4-(2-methyl-1-sulfo-propan-2-yl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]propane-1-sulfonic acid

Systemtic Name: 2-methyl-2-[4-(2-methyl-1-sulfo-propan-2-yl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]propane-1-sulfonic acid Openeye Name: 2-[4-(1,1-dimethyl-2-sulfo-ethyl)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]-2-methyl-propane-1-sulfonic acid CAS Name: 2-methyl-2-[4-(2-methyl-1-sulfopropan-2-yl)-3,6-dioxo-1-cyclohexa-1,4-dienyl]-1-propanesulfonic acid IUPAC Name: 2-methyl-2-[4-(2-methyl-1-sulfopropan-2-yl)-3,6-dioxocyclohexa-1,4-dien-1-yl]propane-1-sulfonic acid Traditional Name: 2-[4-(1,1-dimethyl-2-sulfo-ethyl)-3,6-diketo-cyclohexa-1,4-dien-1-yl]-2-methyl-propane-1-sulfonic acid Formula: C14H20O8S2 MolecularWeight: 380.4338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)O)C1=CC(=O)C(=CC1=O)C(C)(C)CS(=O)(=O)O

Isomeric SMILES

CC(C)(CS(=O)(=O)O)C1=CC(=O)C(=CC1=O)C(C)(C)CS(=O)(=O)O

InChI

InChI=1S/C14H20O8S2/c1-13(2,7-23(17,18)19)9-5-12(16)10(6-11(9)15)14(3,4)8-24(20,21)22/h5-6H,7-8H2,1-4H3,(H,17,18,19)(H,20,21,22)