8-[(2-sulfophenyl)carbonylamino]octanoic acid

Systemtic Name: 8-[(2-sulfophenyl)carbonylamino]octanoic acid Openeye Name: 8-[(2-sulfobenzoyl)amino]octanoic acid CAS Name: 8-[[oxo-(2-sulfophenyl)methyl]amino]octanoic acid IUPAC Name: 8-[(2-sulfobenzoyl)amino]octanoic acid Traditional Name: 8-[(2-sulfobenzoyl)amino]caprylic acid Formula: C15H21NO6S MolecularWeight: 343.39534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO6S/c17-14(18)10-4-2-1-3-7-11-16-15(19)12-8-5-6-9-13(12)23(20,21)22/h5-6,8-9H,1-4,7,10-11H2,(H,16,19)(H,17,18)(H,20,21,22)