3,4-bis(3,5-dimethyl-1-adamantyl)phthalic acid

Systemtic Name: 3,4-bis(3,5-dimethyl-1-adamantyl)phthalic acid Openeye Name: 3,4-bis(3,5-dimethyl-1-adamantyl)phthalic acid CAS Name: 3,4-bis(3,5-dimethyl-1-adamantyl)phthalic acid IUPAC Name: 3,4-bis(3,5-dimethyl-1-adamantyl)phthalic acid Traditional Name: 3,4-bis(3,5-dimethyl-1-adamantyl)phthalic acid Formula: C32H42O4 MolecularWeight: 490.67348

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C4=C(C(=C(C=C4)C(=O)O)C(=O)O)C56CC7CC(C5)(CC(C7)(C6)C)C)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)C4=C(C(=C(C=C4)C(=O)O)C(=O)O)C56CC7CC(C5)(CC(C7)(C6)C)C)C

InChI

InChI=1S/C32H42O4/c1-27-7-19-8-28(2,13-27)16-31(11-19,15-27)22-6-5-21(25(33)34)23(26(35)36)24(22)32-12-20-9-29(3,17-32)14-30(4,10-20)18-32/h5-6,19-20H,7-18H2,1-4H3,(H,33,34)(H,35,36)