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

Systemtic Name: 6-[7-(3,5-dimethyl-1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylic acid Openeye Name: 6-[7-(3,5-dimethyl-1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylic acid CAS Name: 6-[7-(3,5-dimethyl-1-adamantyl)-1,3-benzodioxol-5-yl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[7-(3,5-dimethyl-1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylic acid Traditional Name: 6-[7-(3,5-dimethyl-1-adamantyl)-1,3-benzodioxol-5-yl]-2-naphthoic acid Formula: C30H30O4 MolecularWeight: 454.5568

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C30H30O4/c1-28-11-18-12-29(2,14-28)16-30(13-18,15-28)24-9-23(10-25-26(24)34-17-33-25)21-4-3-20-8-22(27(31)32)6-5-19(20)7-21/h3-10,18H,11-17H2,1-2H3,(H,31,32)