6-[3-[1-[5-(6-carboxynaphthalen-2-yl)-2-methoxy-phenyl]-2-adamantyl]-4-methoxy-phenyl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[3-[1-[5-(6-carboxynaphthalen-2-yl)-2-methoxy-phenyl]-2-adamantyl]-4-methoxy-phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[3-[1-[5-(6-carboxy-2-naphthyl)-2-methoxy-phenyl]-2-adamantyl]-4-methoxy-phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[3-[1-[5-(6-carboxy-2-naphthalenyl)-2-methoxyphenyl]-2-adamantyl]-4-methoxyphenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[3-[1-[5-(6-carboxynaphthalen-2-yl)-2-methoxyphenyl]-2-adamantyl]-4-methoxyphenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[3-[1-[5-(6-carboxy-2-naphthyl)-2-methoxy-phenyl]-2-adamantyl]-4-methoxy-phenyl]-2-naphthoic acid Formula: C46H40O6 MolecularWeight: 688.8062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C4C5CC6CC(C5)CC4(C6)C7=C(C=CC(=C7)C8=CC9=C(C=C8)C=C(C=C9)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C4C5CC6CC(C5)CC4(C6)C7=C(C=CC(=C7)C8=CC9=C(C=C8)C=C(C=C9)C(=O)O)OC

InChI

InChI=1S/C46H40O6/c1-51-41-13-11-34(30-3-5-32-20-36(44(47)48)9-7-28(32)18-30)22-39(41)43-38-16-26-15-27(17-38)25-46(43,24-26)40-23-35(12-14-42(40)52-2)31-4-6-33-21-37(45(49)50)10-8-29(33)19-31/h3-14,18-23,26-27,38,43H,15-17,24-25H2,1-2H3,(H,47,48)(H,49,50)