4-[3,5,7-tris(4-carboxylatophenyl)-1-adamantyl]benzoate

Systemtic Name: 4-[3,5,7-tris(4-carboxylatophenyl)-1-adamantyl]benzoate Openeye Name: 4-[3,5,7-tris(4-carboxylatophenyl)-1-adamantyl]benzoate CAS Name: 4-[3,5,7-tris(4-carboxylatophenyl)-1-adamantyl]benzoate IUPAC Name: 4-[3,5,7-tris(4-carboxylatophenyl)-1-adamantyl]benzoate Traditional Name: 4-[3,5,7-tris(4-carboxylatophenyl)-1-adamantyl]benzoate Formula: C38H28O8-4 MolecularWeight: 612.62412

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(CC3(CC1(CC(C2)(C3)C4=CC=C(C=C4)C(=O)[O-])C5=CC=C(C=C5)C(=O)[O-])C6=CC=C(C=C6)C(=O)[O-])C7=CC=C(C=C7)C(=O)[O-]

Isomeric SMILES

C1C2(CC3(CC1(CC(C2)(C3)C4=CC=C(C=C4)C(=O)[O-])C5=CC=C(C=C5)C(=O)[O-])C6=CC=C(C=C6)C(=O)[O-])C7=CC=C(C=C7)C(=O)[O-]

InChI

InChI=1S/C38H32O8/c39-31(40)23-1-9-27(10-2-23)35-17-36(28-11-3-24(4-12-28)32(41)42)20-37(18-35,29-13-5-25(6-14-29)33(43)44)22-38(19-35,21-36)30-15-7-26(8-16-30)34(45)46/h1-16H,17-22H2,(H,39,40)(H,41,42)(H,43,44)(H,45,46)/p-4