2-methyl-4-[4-(3-methyl-3-sulfo-butyl)sulfanylphenyl]sulfanyl-butane-2-sulfonic acid

Systemtic Name: 2-methyl-4-[4-(3-methyl-3-sulfo-butyl)sulfanylphenyl]sulfanyl-butane-2-sulfonic acid Openeye Name: 2-methyl-4-[4-(3-methyl-3-sulfo-butyl)sulfanylphenyl]sulfanyl-butane-2-sulfonic acid CAS Name: 2-methyl-4-[[4-[(3-methyl-3-sulfobutyl)thio]phenyl]thio]-2-butanesulfonic acid IUPAC Name: 2-methyl-4-[4-(3-methyl-3-sulfobutyl)sulfanylphenyl]sulfanylbutane-2-sulfonic acid Traditional Name: 2-methyl-4-[[4-[(3-methyl-3-sulfo-butyl)thio]phenyl]thio]butane-2-sulfonic acid Formula: C16H26O6S4 MolecularWeight: 442.63404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=CC=C(C=C1)SCCC(C)(C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)(CCSC1=CC=C(C=C1)SCCC(C)(C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H26O6S4/c1-15(2,25(17,18)19)9-11-23-13-5-7-14(8-6-13)24-12-10-16(3,4)26(20,21)22/h5-8H,9-12H2,1-4H3,(H,17,18,19)(H,20,21,22)