2-methyl-4-[[4-[(3-methyl-3-sulfo-butyl)sulfanylmethyl]phenyl]methylsulfanyl]butane-2-sulfonic acid

Systemtic Name: 2-methyl-4-[[4-[(3-methyl-3-sulfo-butyl)sulfanylmethyl]phenyl]methylsulfanyl]butane-2-sulfonic acid Openeye Name: 2-methyl-4-[[4-[(3-methyl-3-sulfo-butyl)sulfanylmethyl]phenyl]methylsulfanyl]butane-2-sulfonic acid CAS Name: 2-methyl-4-[[4-[[(3-methyl-3-sulfobutyl)thio]methyl]phenyl]methylthio]-2-butanesulfonic acid IUPAC Name: 2-methyl-4-[[4-[(3-methyl-3-sulfobutyl)sulfanylmethyl]phenyl]methylsulfanyl]butane-2-sulfonic acid Traditional Name: 2-methyl-4-[[4-[[(3-methyl-3-sulfo-butyl)thio]methyl]benzyl]thio]butane-2-sulfonic acid Formula: C18H30O6S4 MolecularWeight: 470.6872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSCC1=CC=C(C=C1)CSCCC(C)(C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)(CCSCC1=CC=C(C=C1)CSCCC(C)(C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H30O6S4/c1-17(2,27(19,20)21)9-11-25-13-15-5-7-16(8-6-15)14-26-12-10-18(3,4)28(22,23)24/h5-8H,9-14H2,1-4H3,(H,19,20,21)(H,22,23,24)