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

Systemtic Name: 5-[3-(1-adamantyl)-1-(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)prop-1-enyl]-3-chloranyl-2-oxidanyl-benzoic acid Openeye Name: 5-[3-(1-adamantyl)-1-(3-carboxy-5-chloro-4-hydroxy-phenyl)prop-1-enyl]-3-chloro-2-hydroxy-benzoic acid CAS Name: 5-[3-(1-adamantyl)-1-(3-carboxy-5-chloro-4-hydroxyphenyl)prop-1-enyl]-3-chloro-2-hydroxybenzoic acid IUPAC Name: 5-[3-(1-adamantyl)-1-(3-carboxy-5-chloro-4-hydroxyphenyl)prop-1-enyl]-3-chloro-2-hydroxybenzoic acid Traditional Name: 5-[3-(1-adamantyl)-1-(3-carboxy-5-chloro-4-hydroxy-phenyl)prop-1-enyl]-3-chloro-2-hydroxy-benzoic acid Formula: C27H26Cl2O6 MolecularWeight: 517.39774

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC=C(C4=CC(=C(C(=C4)Cl)O)C(=O)O)C5=CC(=C(C(=C5)Cl)O)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC=C(C4=CC(=C(C(=C4)Cl)O)C(=O)O)C5=CC(=C(C(=C5)Cl)O)C(=O)O

InChI

InChI=1S/C27H26Cl2O6/c28-21-8-16(6-19(23(21)30)25(32)33)18(17-7-20(26(34)35)24(31)22(29)9-17)1-2-27-10-13-3-14(11-27)5-15(4-13)12-27/h1,6-9,13-15,30-31H,2-5,10-12H2,(H,32,33)(H,34,35)