6-[3-(1-adamantyl)-4-(1-methoxy-1-oxidanylidene-propan-2-yl)phenyl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[3-(1-adamantyl)-4-(1-methoxy-1-oxidanylidene-propan-2-yl)phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[3-(1-adamantyl)-4-(2-methoxy-1-methyl-2-oxo-ethyl)phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[3-(1-adamantyl)-4-(1-methoxy-1-oxopropan-2-yl)phenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[3-(1-adamantyl)-4-(1-methoxy-1-oxopropan-2-yl)phenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[3-(1-adamantyl)-4-(2-keto-2-methoxy-1-methyl-ethyl)phenyl]-2-naphthoic acid Formula: C31H32O4 MolecularWeight: 468.58338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5)C(=O)OC

Isomeric SMILES

CC(C1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5)C(=O)OC

InChI

InChI=1S/C31H32O4/c1-18(30(34)35-2)27-8-7-25(23-3-4-24-13-26(29(32)33)6-5-22(24)12-23)14-28(27)31-15-19-9-20(16-31)11-21(10-19)17-31/h3-8,12-14,18-21H,9-11,15-17H2,1-2H3,(H,32,33)