[2-methyl-2-(phenanthren-3-ylcarbonyloxymethyl)butyl] phenanthrene-3-carboxylate

Systemtic Name: [2-methyl-2-(phenanthren-3-ylcarbonyloxymethyl)butyl] phenanthrene-3-carboxylate Openeye Name: [2-methyl-2-(phenanthrene-3-carbonyloxymethyl)butyl] phenanthrene-3-carboxylate CAS Name: 3-phenanthrenecarboxylic acid [2-methyl-2-[[oxo(3-phenanthrenyl)methoxy]methyl]butyl] ester IUPAC Name: [2-methyl-2-(phenanthrene-3-carbonyloxymethyl)butyl] phenanthrene-3-carboxylate Traditional Name: phenanthrene-3-carboxylic acid [2-methyl-2-(phenanthrene-3-carbonyloxymethyl)butyl] ester Formula: C36H30O4 MolecularWeight: 526.621

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(COC(=O)C1=CC2=C(C=CC3=CC=CC=C32)C=C1)COC(=O)C4=CC5=C(C=CC6=CC=CC=C65)C=C4

Isomeric SMILES

CCC(C)(COC(=O)C1=CC2=C(C=CC3=CC=CC=C32)C=C1)COC(=O)C4=CC5=C(C=CC6=CC=CC=C65)C=C4

InChI

InChI=1S/C36H30O4/c1-3-36(2,22-39-34(37)28-18-16-26-14-12-24-8-4-6-10-30(24)32(26)20-28)23-40-35(38)29-19-17-27-15-13-25-9-5-7-11-31(25)33(27)21-29/h4-21H,3,22-23H2,1-2H3