2-methyl-4-[4-(3-methyl-3-sulfo-butyl)sulfinylphenyl]sulfinyl-butane-2-sulfonic acid

Systemtic Name: 2-methyl-4-[4-(3-methyl-3-sulfo-butyl)sulfinylphenyl]sulfinyl-butane-2-sulfonic acid Openeye Name: 2-methyl-4-[4-(3-methyl-3-sulfo-butyl)sulfinylphenyl]sulfinyl-butane-2-sulfonic acid CAS Name: 2-methyl-4-[4-(3-methyl-3-sulfobutyl)sulfinylphenyl]sulfinyl-2-butanesulfonic acid IUPAC Name: 2-methyl-4-[4-(3-methyl-3-sulfobutyl)sulfinylphenyl]sulfinylbutane-2-sulfonic acid Traditional Name: 2-methyl-4-[4-(3-methyl-3-sulfo-butyl)sulfinylphenyl]sulfinyl-butane-2-sulfonic acid Formula: C16H26O8S4 MolecularWeight: 474.63284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCS(=O)C1=CC=C(C=C1)S(=O)CCC(C)(C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)(CCS(=O)C1=CC=C(C=C1)S(=O)CCC(C)(C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H26O8S4/c1-15(2,27(19,20)21)9-11-25(17)13-5-7-14(8-6-13)26(18)12-10-16(3,4)28(22,23)24/h5-8H,9-12H2,1-4H3,(H,19,20,21)(H,22,23,24)