3-methyl-4-[(3-methyl-4-sulfo-dodecan-4-yl)amino]dodecane-4-sulfonic acid

Systemtic Name: 3-methyl-4-[(3-methyl-4-sulfo-dodecan-4-yl)amino]dodecane-4-sulfonic acid Openeye Name: 3-methyl-4-[(1-sec-butyl-1-sulfo-nonyl)amino]dodecane-4-sulfonic acid CAS Name: 3-methyl-4-[(3-methyl-4-sulfododecan-4-yl)amino]-4-dodecanesulfonic acid IUPAC Name: 3-methyl-4-[(3-methyl-4-sulfododecan-4-yl)amino]dodecane-4-sulfonic acid Traditional Name: 3-methyl-4-[(1-sec-butyl-1-sulfo-nonyl)amino]dodecane-4-sulfonic acid Formula: C26H55NO6S2 MolecularWeight: 541.848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(C)CC)(NC(CCCCCCCC)(C(C)CC)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCC(C(C)CC)(NC(CCCCCCCC)(C(C)CC)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H55NO6S2/c1-7-11-13-15-17-19-21-25(23(5)9-3,34(28,29)30)27-26(24(6)10-4,35(31,32)33)22-20-18-16-14-12-8-2/h23-24,27H,7-22H2,1-6H3,(H,28,29,30)(H,31,32,33)