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

Systemtic Name: 6-[3-(1-adamantyl)-4-(2-oxidanylpropyl)phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[3-(1-adamantyl)-4-(2-hydroxypropyl)phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[3-(1-adamantyl)-4-(2-hydroxypropyl)phenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[3-(1-adamantyl)-4-(2-hydroxypropyl)phenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[3-(1-adamantyl)-4-(2-hydroxypropyl)phenyl]-2-naphthoic acid Formula: C30H32O3 MolecularWeight: 440.57328

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5)O

Isomeric SMILES

CC(CC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5)O

InChI

InChI=1S/C30H32O3/c1-18(31)8-26-6-4-25(23-2-3-24-13-27(29(32)33)7-5-22(24)12-23)14-28(26)30-15-19-9-20(16-30)11-21(10-19)17-30/h2-7,12-14,18-21,31H,8-11,15-17H2,1H3,(H,32,33)