4-[4-(1-adamantyl)-3-methoxy-phenyl]-2-(3-carboxyphenyl)-3-methoxy-benzoic acid

Systemtic Name: 4-[4-(1-adamantyl)-3-methoxy-phenyl]-2-(3-carboxyphenyl)-3-methoxy-benzoic acid Openeye Name: 4-[4-(1-adamantyl)-3-methoxy-phenyl]-2-(3-carboxyphenyl)-3-methoxy-benzoic acid CAS Name: 4-[4-(1-adamantyl)-3-methoxyphenyl]-2-(3-carboxyphenyl)-3-methoxybenzoic acid IUPAC Name: 4-[4-(1-adamantyl)-3-methoxyphenyl]-2-(3-carboxyphenyl)-3-methoxybenzoic acid Traditional Name: 4-[4-(1-adamantyl)-3-methoxy-phenyl]-2-(3-carboxyphenyl)-3-methoxy-benzoic acid Formula: C32H32O6 MolecularWeight: 512.59288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H32O6/c1-37-27-14-21(6-9-26(27)32-15-18-10-19(16-32)12-20(11-18)17-32)24-7-8-25(31(35)36)28(29(24)38-2)22-4-3-5-23(13-22)30(33)34/h3-9,13-14,18-20H,10-12,15-17H2,1-2H3,(H,33,34)(H,35,36)