8-[[4-[1,2-bis(oxidanyl)ethyl]phenyl]carbonylamino]octanoic acid

Systemtic Name: 8-[[4-[1,2-bis(oxidanyl)ethyl]phenyl]carbonylamino]octanoic acid Openeye Name: 8-[[4-(1,2-dihydroxyethyl)benzoyl]amino]octanoic acid CAS Name: 8-[[[4-(1,2-dihydroxyethyl)phenyl]-oxomethyl]amino]octanoic acid IUPAC Name: 8-[[4-(1,2-dihydroxyethyl)benzoyl]amino]octanoic acid Traditional Name: 8-[[4-(1,2-dihydroxyethyl)benzoyl]amino]caprylic acid Formula: C17H25NO5 MolecularWeight: 323.3841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CO)O)C(=O)NCCCCCCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(CO)O)C(=O)NCCCCCCCC(=O)O

InChI

InChI=1S/C17H25NO5/c19-12-15(20)13-7-9-14(10-8-13)17(23)18-11-5-3-1-2-4-6-16(21)22/h7-10,15,19-20H,1-6,11-12H2,(H,18,23)(H,21,22)