diethyl 2-oxidanylidene-3-(2-pyren-1-ylethyl)butanedioate

Systemtic Name: diethyl 2-oxidanylidene-3-(2-pyren-1-ylethyl)butanedioate Openeye Name: diethyl 2-oxo-3-(2-pyren-1-ylethyl)butanedioate CAS Name: 2-oxo-3-[2-(1-pyrenyl)ethyl]butanedioic acid diethyl ester IUPAC Name: diethyl 2-oxo-3-(2-pyren-1-ylethyl)butanedioate Traditional Name: 2-keto-3-(2-pyren-1-ylethyl)succinic acid diethyl ester Formula: C26H24O5 MolecularWeight: 416.46576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)C(=O)OCC

InChI

InChI=1S/C26H24O5/c1-3-30-25(28)21(24(27)26(29)31-4-2)15-12-16-8-9-19-11-10-17-6-5-7-18-13-14-20(16)23(19)22(17)18/h5-11,13-14,21H,3-4,12,15H2,1-2H3