4-[(3-methylphenyl)-(4-sulfobutyl)amino]butane-1-sulfonic acid

Systemtic Name: 4-[(3-methylphenyl)-(4-sulfobutyl)amino]butane-1-sulfonic acid Openeye Name: 4-[3-methyl-N-(4-sulfobutyl)anilino]butane-1-sulfonic acid CAS Name: 4-[3-methyl-N-(4-sulfobutyl)anilino]-1-butanesulfonic acid IUPAC Name: 4-[3-methyl-N-(4-sulfobutyl)anilino]butane-1-sulfonic acid Traditional Name: 4-[3-methyl-N-(4-sulfobutyl)anilino]butane-1-sulfonic acid Formula: C15H25NO6S2 MolecularWeight: 379.4921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25NO6S2/c1-14-7-6-8-15(13-14)16(9-2-4-11-23(17,18)19)10-3-5-12-24(20,21)22/h6-8,13H,2-5,9-12H2,1H3,(H,17,18,19)(H,20,21,22)