6-[7-(3-methyl-1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[7-(3-methyl-1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylic acid Openeye Name: 6-[7-(3-methyl-1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylic acid CAS Name: 6-[7-(3-methyl-1-adamantyl)-1,3-benzodioxol-5-yl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[7-(3-methyl-1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylic acid Traditional Name: 6-[7-(3-methyl-1-adamantyl)-1,3-benzodioxol-5-yl]-2-naphthoic acid Formula: C29H28O4 MolecularWeight: 440.53022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)CC(C3)(C2)C4=C5C(=CC(=C4)C6=CC7=C(C=C6)C=C(C=C7)C(=O)O)OCO5

Isomeric SMILES

CC12CC3CC(C1)CC(C3)(C2)C4=C5C(=CC(=C4)C6=CC7=C(C=C6)C=C(C=C7)C(=O)O)OCO5

InChI

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