2-methyl-2-[4-(2-methyl-1-sulfo-propan-2-yl)-2,5-bis(oxidanyl)phenyl]propane-1-sulfonic acid

Systemtic Name: 2-methyl-2-[4-(2-methyl-1-sulfo-propan-2-yl)-2,5-bis(oxidanyl)phenyl]propane-1-sulfonic acid Openeye Name: 2-[4-(1,1-dimethyl-2-sulfo-ethyl)-2,5-dihydroxy-phenyl]-2-methyl-propane-1-sulfonic acid CAS Name: 2-[2,5-dihydroxy-4-(2-methyl-1-sulfopropan-2-yl)phenyl]-2-methyl-1-propanesulfonic acid IUPAC Name: 2-[2,5-dihydroxy-4-(2-methyl-1-sulfopropan-2-yl)phenyl]-2-methylpropane-1-sulfonic acid Traditional Name: 2-[4-(1,1-dimethyl-2-sulfo-ethyl)-2,5-dihydroxy-phenyl]-2-methyl-propane-1-sulfonic acid Formula: C14H22O8S2 MolecularWeight: 382.44968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)O)C1=CC(=C(C=C1O)C(C)(C)CS(=O)(=O)O)O

Isomeric SMILES

CC(C)(CS(=O)(=O)O)C1=CC(=C(C=C1O)C(C)(C)CS(=O)(=O)O)O

InChI

InChI=1S/C14H22O8S2/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/h5-6,15-16H,7-8H2,1-4H3,(H,17,18,19)(H,20,21,22)