1-[7-(3-methyl-1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylic acid

Systemtic Name: 1-[7-(3-methyl-1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylic acid Openeye Name: 1-[7-(3-methyl-1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylic acid CAS Name: 1-[7-(3-methyl-1-adamantyl)-1,3-benzodioxol-5-yl]-2-naphthalenecarboxylic acid IUPAC Name: 1-[7-(3-methyl-1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylic acid Traditional Name: 1-[7-(3-methyl-1-adamantyl)-1,3-benzodioxol-5-yl]-2-naphthoic acid Formula: C29H28O4 MolecularWeight: 440.53022

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)CC(C3)(C2)C4=C5C(=CC(=C4)C6=C(C=CC7=CC=CC=C76)C(=O)O)OCO5

Isomeric SMILES

CC12CC3CC(C1)CC(C3)(C2)C4=C5C(=CC(=C4)C6=C(C=CC7=CC=CC=C76)C(=O)O)OCO5

InChI

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