4-[(2,3-dimethoxyphenyl)-(4-sulfobutyl)amino]butane-1-sulfonic acid

Systemtic Name: 4-[(2,3-dimethoxyphenyl)-(4-sulfobutyl)amino]butane-1-sulfonic acid Openeye Name: 4-[2,3-dimethoxy-N-(4-sulfobutyl)anilino]butane-1-sulfonic acid CAS Name: 4-[2,3-dimethoxy-N-(4-sulfobutyl)anilino]-1-butanesulfonic acid IUPAC Name: 4-[2,3-dimethoxy-N-(4-sulfobutyl)anilino]butane-1-sulfonic acid Traditional Name: 4-[2,3-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(=C1OC)N(CCCCS(=O)(=O)O)CCCCS(=O)(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)N(CCCCS(=O)(=O)O)CCCCS(=O)(=O)O

InChI

InChI=1S/C16H27NO8S2/c1-24-15-9-7-8-14(16(15)25-2)17(10-3-5-12-26(18,19)20)11-4-6-13-27(21,22)23/h7-9H,3-6,10-13H2,1-2H3,(H,18,19,20)(H,21,22,23)