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

Systemtic Name: 5-[1-(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)hexadec-1-enyl]-3-chloranyl-2-oxidanyl-benzoic acid Openeye Name: 5-[1-(3-carboxy-5-chloro-4-hydroxy-phenyl)hexadec-1-enyl]-3-chloro-2-hydroxy-benzoic acid CAS Name: 5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)hexadec-1-enyl]-3-chloro-2-hydroxybenzoic acid IUPAC Name: 5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)hexadec-1-enyl]-3-chloro-2-hydroxybenzoic acid Traditional Name: 5-[1-(3-carboxy-5-chloro-4-hydroxy-phenyl)hexadec-1-enyl]-3-chloro-2-hydroxy-benzoic acid Formula: C30H38Cl2O6 MolecularWeight: 565.52512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38Cl2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(20-16-23(29(35)36)27(33)25(31)18-20)21-17-24(30(37)38)28(34)26(32)19-21/h15-19,33-34H,2-14H2,1H3,(H,35,36)(H,37,38)