4-[[3-(1-adamantyl)-6-(4-carboxyphenyl)naphthalen-2-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[3-(1-adamantyl)-6-(4-carboxyphenyl)naphthalen-2-yl]oxymethyl]benzoic acid Openeye Name: 4-[[3-(1-adamantyl)-6-(4-carboxyphenyl)-2-naphthyl]oxymethyl]benzoic acid CAS Name: 4-[[3-(1-adamantyl)-6-(4-carboxyphenyl)-2-naphthalenyl]oxymethyl]benzoic acid IUPAC Name: 4-[[3-(1-adamantyl)-6-(4-carboxyphenyl)naphthalen-2-yl]oxymethyl]benzoic acid Traditional Name: 4-[[3-(1-adamantyl)-6-(4-carboxyphenyl)-2-naphthoxy]methyl]benzoic acid Formula: C35H32O5 MolecularWeight: 532.62558

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)C6=CC=C(C=C6)C(=O)O)OCC7=CC=C(C=C7)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)C6=CC=C(C=C6)C(=O)O)OCC7=CC=C(C=C7)C(=O)O

InChI

InChI=1S/C35H32O5/c36-33(37)26-3-1-21(2-4-26)20-40-32-16-29-10-9-28(25-5-7-27(8-6-25)34(38)39)14-30(29)15-31(32)35-17-22-11-23(18-35)13-24(12-22)19-35/h1-10,14-16,22-24H,11-13,17-20H2,(H,36,37)(H,38,39)