6-[3-(1-adamantyl)-4-oxidanyl-phenyl]-3-chloranyl-naphthalene-2-carboxylic acid

Systemtic Name: 6-[3-(1-adamantyl)-4-oxidanyl-phenyl]-3-chloranyl-naphthalene-2-carboxylic acid Openeye Name: 6-[3-(1-adamantyl)-4-hydroxy-phenyl]-3-chloro-naphthalene-2-carboxylic acid CAS Name: 6-[3-(1-adamantyl)-4-hydroxyphenyl]-3-chloro-2-naphthalenecarboxylic acid IUPAC Name: 6-[3-(1-adamantyl)-4-hydroxyphenyl]-3-chloronaphthalene-2-carboxylic acid Traditional Name: 6-[3-(1-adamantyl)-4-hydroxy-phenyl]-3-chloro-2-naphthoic acid Formula: C27H25ClO3 MolecularWeight: 432.9386

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=CC(=C(C=C6C=C5)C(=O)O)Cl)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=CC(=C(C=C6C=C5)C(=O)O)Cl)O

InChI

InChI=1S/C27H25ClO3/c28-24-11-21-8-18(1-2-19(21)9-22(24)26(30)31)20-3-4-25(29)23(10-20)27-12-15-5-16(13-27)7-17(6-15)14-27/h1-4,8-11,15-17,29H,5-7,12-14H2,(H,30,31)