1-(4-acetyloxyphenyl)-3-(1-adamantyl)naphthalene-2-carboxylic acid

Systemtic Name: 1-(4-acetyloxyphenyl)-3-(1-adamantyl)naphthalene-2-carboxylic acid Openeye Name: 1-(4-acetoxyphenyl)-3-(1-adamantyl)naphthalene-2-carboxylic acid CAS Name: 1-(4-acetyloxyphenyl)-3-(1-adamantyl)-2-naphthalenecarboxylic acid IUPAC Name: 1-(4-acetyloxyphenyl)-3-(1-adamantyl)naphthalene-2-carboxylic acid Traditional Name: 1-(4-acetoxyphenyl)-3-(1-adamantyl)-2-naphthoic acid Formula: C29H28O4 MolecularWeight: 440.53022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2=C(C(=CC3=CC=CC=C32)C45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2=C(C(=CC3=CC=CC=C32)C45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

InChI=1S/C29H28O4/c1-17(30)33-23-8-6-21(7-9-23)26-24-5-3-2-4-22(24)13-25(27(26)28(31)32)29-14-18-10-19(15-29)12-20(11-18)16-29/h2-9,13,18-20H,10-12,14-16H2,1H3,(H,31,32)