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

Systemtic Name: 6-[3-(1-adamantyl)-4-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[3-(1-adamantyl)-4-(2-methoxy-2-oxo-ethoxy)phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[3-(1-adamantyl)-4-(2-methoxy-2-oxoethoxy)phenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[3-(1-adamantyl)-4-(2-methoxy-2-oxoethoxy)phenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[3-(1-adamantyl)-4-(2-keto-2-methoxy-ethoxy)phenyl]-2-naphthoic acid Formula: C30H30O5 MolecularWeight: 470.5562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H30O5/c1-34-28(31)17-35-27-7-6-24(22-2-3-23-12-25(29(32)33)5-4-21(23)11-22)13-26(27)30-14-18-8-19(15-30)10-20(9-18)16-30/h2-7,11-13,18-20H,8-10,14-17H2,1H3,(H,32,33)