bis(2-phenanthren-3-ylethyl) 2-ethyl-2-methyl-butanedioate

Systemtic Name: bis(2-phenanthren-3-ylethyl) 2-ethyl-2-methyl-butanedioate Openeye Name: bis[2-(3-phenanthryl)ethyl] 2-ethyl-2-methyl-butanedioate CAS Name: 2-ethyl-2-methylbutanedioic acid bis[2-(3-phenanthrenyl)ethyl] ester IUPAC Name: bis(2-phenanthren-3-ylethyl) 2-ethyl-2-methylbutanedioate Traditional Name: 2-ethyl-2-methyl-succinic acid bis[2-(3-phenanthryl)ethyl] ester Formula: C39H36O4 MolecularWeight: 568.70074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(=O)OCCC1=CC2=C(C=CC3=CC=CC=C32)C=C1)C(=O)OCCC4=CC5=C(C=CC6=CC=CC=C65)C=C4

Isomeric SMILES

CCC(C)(CC(=O)OCCC1=CC2=C(C=CC3=CC=CC=C32)C=C1)C(=O)OCCC4=CC5=C(C=CC6=CC=CC=C65)C=C4

InChI

InChI=1S/C39H36O4/c1-3-39(2,38(41)43-23-21-28-13-15-32-19-17-30-9-5-7-11-34(30)36(32)25-28)26-37(40)42-22-20-27-12-14-31-18-16-29-8-4-6-10-33(29)35(31)24-27/h4-19,24-25H,3,20-23,26H2,1-2H3