6-[4-(3-cyanopropyl)-9-oxidanylidene-xanthen-2-yl]hex-5-ynenitrile

Systemtic Name: 6-[4-(3-cyanopropyl)-9-oxidanylidene-xanthen-2-yl]hex-5-ynenitrile Openeye Name: 6-[4-(3-cyanopropyl)-9-oxo-xanthen-2-yl]hex-5-ynenitrile CAS Name: 6-[4-(3-cyanopropyl)-9-oxo-2-xanthenyl]-5-hexynenitrile IUPAC Name: 6-[4-(3-cyanopropyl)-9-oxoxanthen-2-yl]hex-5-ynenitrile Traditional Name: 6-[4-(3-cyanopropyl)-9-keto-xanthen-2-yl]hex-5-ynenitrile Formula: C23H18N2O2 MolecularWeight: 354.40122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(O2)C(=CC(=C3)C#CCCCC#N)CCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(O2)C(=CC(=C3)C#CCCCC#N)CCCC#N

InChI

InChI=1S/C23H18N2O2/c24-13-7-2-1-3-9-17-15-18(10-6-8-14-25)23-20(16-17)22(26)19-11-4-5-12-21(19)27-23/h4-5,11-12,15-16H,1-2,6-8,10H2