2-methyl-4-[[4-[(3-methyl-3-sulfo-butyl)sulfinylmethyl]phenyl]methylsulfinyl]butane-2-sulfonic acid

Systemtic Name: 2-methyl-4-[[4-[(3-methyl-3-sulfo-butyl)sulfinylmethyl]phenyl]methylsulfinyl]butane-2-sulfonic acid Openeye Name: 2-methyl-4-[[4-[(3-methyl-3-sulfo-butyl)sulfinylmethyl]phenyl]methylsulfinyl]butane-2-sulfonic acid CAS Name: 2-methyl-4-[[4-[(3-methyl-3-sulfobutyl)sulfinylmethyl]phenyl]methylsulfinyl]-2-butanesulfonic acid IUPAC Name: 2-methyl-4-[[4-[(3-methyl-3-sulfobutyl)sulfinylmethyl]phenyl]methylsulfinyl]butane-2-sulfonic acid Traditional Name: 2-methyl-4-[4-[(3-methyl-3-sulfo-butyl)sulfinylmethyl]benzyl]sulfinyl-butane-2-sulfonic acid Formula: C18H30O8S4 MolecularWeight: 502.686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCS(=O)CC1=CC=C(C=C1)CS(=O)CCC(C)(C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)(CCS(=O)CC1=CC=C(C=C1)CS(=O)CCC(C)(C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H30O8S4/c1-17(2,29(21,22)23)9-11-27(19)13-15-5-7-16(8-6-15)14-28(20)12-10-18(3,4)30(24,25)26/h5-8H,9-14H2,1-4H3,(H,21,22,23)(H,24,25,26)