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

Systemtic Name: 6-[3-(1-adamantyl)-4-(3-methoxy-2-oxidanyl-propyl)phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[3-(1-adamantyl)-4-(2-hydroxy-3-methoxy-propyl)phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[3-(1-adamantyl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[3-(1-adamantyl)-4-(2-hydroxy-3-methoxypropyl)phenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[3-(1-adamantyl)-4-(2-hydroxy-3-methoxy-propyl)phenyl]-2-naphthoic acid Formula: C31H34O4 MolecularWeight: 470.59926

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Descriptors Computed from Structure

Canonical SMILES:

COCC(CC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5)O

Isomeric SMILES

COCC(CC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5)O

InChI

InChI=1S/C31H34O4/c1-35-18-28(32)13-26-6-4-25(23-2-3-24-12-27(30(33)34)7-5-22(24)11-23)14-29(26)31-15-19-8-20(16-31)10-21(9-19)17-31/h2-7,11-12,14,19-21,28,32H,8-10,13,15-18H2,1H3,(H,33,34)