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2-phenanthren-3-ylethyl phenanthrene-3-carboxylate

2-phenanthren-3-ylethyl phenanthrene-3-carboxylate

Systemtic Name:2-phenanthren-3-ylethyl phenanthrene-3-carboxylate
Openeye Name:2-(3-phenanthryl)ethyl phenanthrene-3-carboxylate
CAS Name:3-phenanthrenecarboxylic acid 2-(3-phenanthrenyl)ethyl ester
IUPAC Name:2-phenanthren-3-ylethyl phenanthrene-3-carboxylate
Traditional Name:phenanthrene-3-carboxylic acid 2-(3-phenanthryl)ethyl ester
Formula: C31H22O2
MolecularWeight: 426.50518
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)CCOC(=O)C4=CC5=C(C=CC6=CC=CC=C65)C=C4


Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)CCOC(=O)C4=CC5=C(C=CC6=CC=CC=C65)C=C4


InChI

InChI=1S/C31H22O2/c32-31(26-16-15-25-14-12-23-6-2-4-8-28(23)30(25)20-26)33-18-17-21-9-10-24-13-11-22-5-1-3-7-27(22)29(24)19-21/h1-16,19-20H,17-18H2


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