4-[7-(1-adamantyl)-6-oxidanyl-naphthalen-2-yl]-3-chloranyl-benzoic acid

Systemtic Name: 4-[7-(1-adamantyl)-6-oxidanyl-naphthalen-2-yl]-3-chloranyl-benzoic acid Openeye Name: 4-[7-(1-adamantyl)-6-hydroxy-2-naphthyl]-3-chloro-benzoic acid CAS Name: 4-[7-(1-adamantyl)-6-hydroxy-2-naphthalenyl]-3-chlorobenzoic acid IUPAC Name: 4-[7-(1-adamantyl)-6-hydroxynaphthalen-2-yl]-3-chlorobenzoic acid Traditional Name: 4-[7-(1-adamantyl)-6-hydroxy-2-naphthyl]-3-chloro-benzoic acid Formula: C27H25ClO3 MolecularWeight: 432.9386

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)C6=C(C=C(C=C6)C(=O)O)Cl)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)C6=C(C=C(C=C6)C(=O)O)Cl)O

InChI

InChI=1S/C27H25ClO3/c28-24-10-20(26(30)31)3-4-22(24)19-2-1-18-11-25(29)23(9-21(18)8-19)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)