4,5-bis[2-(oxan-4-yl)-2-oxidanylidene-ethyl]-9,10-bis(oxidanylidene)-4a,9a-dihydroanthracene-2-carbonitrile

Systemtic Name: 4,5-bis[2-(oxan-4-yl)-2-oxidanylidene-ethyl]-9,10-bis(oxidanylidene)-4a,9a-dihydroanthracene-2-carbonitrile Openeye Name: 9,10-dioxo-4,5-bis(2-oxo-2-tetrahydropyran-4-yl-ethyl)-4a,9a-dihydroanthracene-2-carbonitrile CAS Name: 4,5-bis[2-(4-oxanyl)-2-oxoethyl]-9,10-dioxo-4a,9a-dihydroanthracene-2-carbonitrile IUPAC Name: 4,5-bis[2-(oxan-4-yl)-2-oxoethyl]-9,10-dioxo-4a,9a-dihydroanthracene-2-carbonitrile Traditional Name: 9,10-diketo-4,5-bis(2-keto-2-tetrahydropyran-4-yl-ethyl)-4a,9a-dihydroanthracene-2-carbonitrile Formula: C29H29NO6 MolecularWeight: 487.54366

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C(=O)CC2=CC=CC3=C2C(=O)C4C(C3=O)C=C(C=C4CC(=O)C5CCOCC5)C#N

Isomeric SMILES

C1COCCC1C(=O)CC2=CC=CC3=C2C(=O)C4C(C3=O)C=C(C=C4CC(=O)C5CCOCC5)C#N

InChI

InChI=1S/C29H29NO6/c30-16-17-12-21(15-25(32)19-6-10-36-11-7-19)27-23(13-17)28(33)22-3-1-2-20(26(22)29(27)34)14-24(31)18-4-8-35-9-5-18/h1-3,12-13,18-19,23,27H,4-11,14-15H2