6-[3-(1-adamantyl)-4-oxidanyl-phenyl]-5-chloranyl-naphthalene-2-carboxylic acid

Systemtic Name: 6-[3-(1-adamantyl)-4-oxidanyl-phenyl]-5-chloranyl-naphthalene-2-carboxylic acid Openeye Name: 6-[3-(1-adamantyl)-4-hydroxy-phenyl]-5-chloro-naphthalene-2-carboxylic acid CAS Name: 6-[3-(1-adamantyl)-4-hydroxyphenyl]-5-chloro-2-naphthalenecarboxylic acid IUPAC Name: 6-[3-(1-adamantyl)-4-hydroxyphenyl]-5-chloronaphthalene-2-carboxylic acid Traditional Name: 6-[3-(1-adamantyl)-4-hydroxy-phenyl]-5-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=C(C6=C(C=C5)C=C(C=C6)C(=O)O)Cl)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=C(C6=C(C=C5)C=C(C=C6)C(=O)O)Cl)O

InChI

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