4-[(3,5-dimethylphenyl)-(4-sulfobutyl)amino]butane-1-sulfonic acid

Systemtic Name: 4-[(3,5-dimethylphenyl)-(4-sulfobutyl)amino]butane-1-sulfonic acid Openeye Name: 4-[3,5-dimethyl-N-(4-sulfobutyl)anilino]butane-1-sulfonic acid CAS Name: 4-[3,5-dimethyl-N-(4-sulfobutyl)anilino]-1-butanesulfonic acid IUPAC Name: 4-[3,5-dimethyl-N-(4-sulfobutyl)anilino]butane-1-sulfonic acid Traditional Name: 4-[3,5-dimethyl-N-(4-sulfobutyl)anilino]butane-1-sulfonic acid Formula: C16H27NO6S2 MolecularWeight: 393.51868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCCCS(=O)(=O)O)CCCCS(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCCCS(=O)(=O)O)CCCCS(=O)(=O)O)C

InChI

InChI=1S/C16H27NO6S2/c1-14-11-15(2)13-16(12-14)17(7-3-5-9-24(18,19)20)8-4-6-10-25(21,22)23/h11-13H,3-10H2,1-2H3,(H,18,19,20)(H,21,22,23)