5-ethoxy-5-oxidanylidene-4-pyren-1-yl-pentanoic acid

Systemtic Name: 5-ethoxy-5-oxidanylidene-4-pyren-1-yl-pentanoic acid Openeye Name: 5-ethoxy-5-oxo-4-pyren-1-yl-pentanoic acid CAS Name: 5-ethoxy-5-oxo-4-(1-pyrenyl)pentanoic acid IUPAC Name: 5-ethoxy-5-oxo-4-pyren-1-ylpentanoic acid Traditional Name: 5-ethoxy-5-keto-4-pyren-1-yl-valeric acid Formula: C23H20O4 MolecularWeight: 360.4025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20O4/c1-2-27-23(26)19(12-13-20(24)25)17-10-8-16-7-6-14-4-3-5-15-9-11-18(17)22(16)21(14)15/h3-11,19H,2,12-13H2,1H3,(H,24,25)