8-[(3-sulfophenyl)carbonylamino]octanoic acid

Systemtic Name: 8-[(3-sulfophenyl)carbonylamino]octanoic acid Openeye Name: 8-[(3-sulfobenzoyl)amino]octanoic acid CAS Name: 8-[[oxo-(3-sulfophenyl)methyl]amino]octanoic acid IUPAC Name: 8-[(3-sulfobenzoyl)amino]octanoic acid Traditional Name: 8-[(3-sulfobenzoyl)amino]caprylic acid Formula: C15H21NO6S MolecularWeight: 343.39534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)NCCCCCCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)NCCCCCCCC(=O)O

InChI

InChI=1S/C15H21NO6S/c17-14(18)9-4-2-1-3-5-10-16-15(19)12-7-6-8-13(11-12)23(20,21)22/h6-8,11H,1-5,9-10H2,(H,16,19)(H,17,18)(H,20,21,22)