4-[7-(1-adamantyl)-6-(1-oxidanylpropyl)naphthalen-2-yl]benzoic acid

Systemtic Name: 4-[7-(1-adamantyl)-6-(1-oxidanylpropyl)naphthalen-2-yl]benzoic acid Openeye Name: 4-[7-(1-adamantyl)-6-(1-hydroxypropyl)-2-naphthyl]benzoic acid CAS Name: 4-[7-(1-adamantyl)-6-(1-hydroxypropyl)-2-naphthalenyl]benzoic acid IUPAC Name: 4-[7-(1-adamantyl)-6-(1-hydroxypropyl)naphthalen-2-yl]benzoic acid Traditional Name: 4-[7-(1-adamantyl)-6-(1-hydroxypropyl)-2-naphthyl]benzoic acid Formula: C30H32O3 MolecularWeight: 440.57328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5)O

Isomeric SMILES

CCC(C1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5)O

InChI

InChI=1S/C30H32O3/c1-2-28(31)26-13-24-8-7-23(21-3-5-22(6-4-21)29(32)33)12-25(24)14-27(26)30-15-18-9-19(16-30)11-20(10-18)17-30/h3-8,12-14,18-20,28,31H,2,9-11,15-17H2,1H3,(H,32,33)