4-(8-oxidanylidene-7-phosphono-nonoxy)benzoic acid

Systemtic Name: 4-(8-oxidanylidene-7-phosphono-nonoxy)benzoic acid Openeye Name: 4-(8-oxo-7-phosphono-nonoxy)benzoic acid CAS Name: 4-(8-oxo-7-phosphonononoxy)benzoic acid IUPAC Name: 4-(8-oxo-7-phosphonononoxy)benzoic acid Traditional Name: 4-(8-keto-7-phosphono-nonoxy)benzoic acid Formula: C16H23O7P MolecularWeight: 358.323381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCCCCOC1=CC=C(C=C1)C(=O)O)P(=O)(O)O

Isomeric SMILES

CC(=O)C(CCCCCCOC1=CC=C(C=C1)C(=O)O)P(=O)(O)O

InChI

InChI=1S/C16H23O7P/c1-12(17)15(24(20,21)22)6-4-2-3-5-11-23-14-9-7-13(8-10-14)16(18)19/h7-10,15H,2-6,11H2,1H3,(H,18,19)(H2,20,21,22)