5-[1-(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)triacont-1-enyl]-3-chloranyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[1-(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)triacont-1-enyl]-3-chloranyl-2-oxidanyl-benzoic acid Openeye Name: 5-[1-(3-carboxy-5-chloro-4-hydroxy-phenyl)triacont-1-enyl]-3-chloro-2-hydroxy-benzoic acid CAS Name: 5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)triacont-1-enyl]-3-chloro-2-hydroxybenzoic acid IUPAC Name: 5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)triacont-1-enyl]-3-chloro-2-hydroxybenzoic acid Traditional Name: 5-[1-(3-carboxy-5-chloro-4-hydroxy-phenyl)triacont-1-enyl]-3-chloro-2-hydroxy-benzoic acid Formula: C44H66Cl2O6 MolecularWeight: 761.89724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C(C1=CC(=C(C(=C1)Cl)O)C(=O)O)C2=CC(=C(C(=C2)Cl)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C(C1=CC(=C(C(=C1)Cl)O)C(=O)O)C2=CC(=C(C(=C2)Cl)O)C(=O)O

InChI

InChI=1S/C44H66Cl2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-36(34-30-37(43(49)50)41(47)39(45)32-34)35-31-38(44(51)52)42(48)40(46)33-35/h29-33,47-48H,2-28H2,1H3,(H,49,50)(H,51,52)