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

Systemtic Name: 4-[(3,5-dimethoxyphenyl)-(4-sulfobutyl)amino]butane-1-sulfonic acid Openeye Name: 4-[3,5-dimethoxy-N-(4-sulfobutyl)anilino]butane-1-sulfonic acid CAS Name: 4-[3,5-dimethoxy-N-(4-sulfobutyl)anilino]-1-butanesulfonic acid IUPAC Name: 4-[3,5-dimethoxy-N-(4-sulfobutyl)anilino]butane-1-sulfonic acid Traditional Name: 4-[3,5-dimethoxy-N-(4-sulfobutyl)anilino]butane-1-sulfonic acid Formula: C16H27NO8S2 MolecularWeight: 425.51748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N(CCCCS(=O)(=O)O)CCCCS(=O)(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N(CCCCS(=O)(=O)O)CCCCS(=O)(=O)O)OC

InChI

InChI=1S/C16H27NO8S2/c1-24-15-11-14(12-16(13-15)25-2)17(7-3-5-9-26(18,19)20)8-4-6-10-27(21,22)23/h11-13H,3-10H2,1-2H3,(H,18,19,20)(H,21,22,23)