10-oxidanylidene-9-pyren-1-yl-decanoate

Systemtic Name: 10-oxidanylidene-9-pyren-1-yl-decanoate Openeye Name: 10-oxo-9-pyren-1-yl-decanoate CAS Name: 10-oxo-9-(1-pyrenyl)decanoate IUPAC Name: 10-oxo-9-pyren-1-yldecanoate Traditional Name: 10-keto-9-pyren-1-yl-caprate Formula: C26H25O3- MolecularWeight: 385.4749

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(CCCCCCCC(=O)[O-])C=O

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(CCCCCCCC(=O)[O-])C=O

InChI

InChI=1S/C26H26O3/c27-17-21(7-4-2-1-3-5-10-24(28)29)22-15-13-20-12-11-18-8-6-9-19-14-16-23(22)26(20)25(18)19/h6,8-9,11-17,21H,1-5,7,10H2,(H,28,29)/p-1