6-[3-[4-(3,3-dimethyl-2-oxidanylidene-butoxy)-3-methyl-phenyl]pentan-3-yl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[3-[4-(3,3-dimethyl-2-oxidanylidene-butoxy)-3-methyl-phenyl]pentan-3-yl]naphthalene-2-carboxylic acid Openeye Name: 6-[1-[4-(3,3-dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl]naphthalene-2-carboxylic acid CAS Name: 6-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]naphthalene-2-carboxylic acid Traditional Name: 6-[1-ethyl-1-[4-(2-keto-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]-2-naphthoic acid Formula: C29H34O4 MolecularWeight: 446.57786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)OCC(=O)C(C)(C)C)C)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)OCC(=O)C(C)(C)C)C)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C29H34O4/c1-7-29(8-2,24-12-11-20-16-22(27(31)32)10-9-21(20)17-24)23-13-14-25(19(3)15-23)33-18-26(30)28(4,5)6/h9-17H,7-8,18H2,1-6H3,(H,31,32)