4-[13,13-bis(chloranyl)-14-oxidanyl-14-oxidanylidene-tetradecyl]benzoic acid

Systemtic Name: 4-[13,13-bis(chloranyl)-14-oxidanyl-14-oxidanylidene-tetradecyl]benzoic acid Openeye Name: 4-(13,13-dichloro-14-hydroxy-14-oxo-tetradecyl)benzoic acid CAS Name: 4-(13,13-dichloro-14-hydroxy-14-oxotetradecyl)benzoic acid IUPAC Name: 4-(13,13-dichloro-14-hydroxy-14-oxotetradecyl)benzoic acid Traditional Name: 4-(13,13-dichloro-14-hydroxy-14-keto-tetradecyl)benzoic acid Formula: C21H30Cl2O4 MolecularWeight: 417.3665

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCCCCCCCCC(C(=O)O)(Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCCCCCCCCCCC(C(=O)O)(Cl)Cl)C(=O)O

InChI

InChI=1S/C21H30Cl2O4/c22-21(23,20(26)27)16-10-8-6-4-2-1-3-5-7-9-11-17-12-14-18(15-13-17)19(24)25/h12-15H,1-11,16H2,(H,24,25)(H,26,27)