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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C2=C(C(=CC3=CC=CC=C32)C45CC6CC(C4)CC(C6)C5)C(=O)O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C2=C(C(=CC3=CC=CC=C32)C45CC6CC(C4)CC(C6)C5)C(=O)O)O

InChI

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