7,8-dimethyl-6-oxidanylidene-2-(4,8,12-trimethyltridecyl)-4,7,8,8a-tetrahydro-3H-chromene-2-carbonitrile

Systemtic Name: 7,8-dimethyl-6-oxidanylidene-2-(4,8,12-trimethyltridecyl)-4,7,8,8a-tetrahydro-3H-chromene-2-carbonitrile Openeye Name: 7,8-dimethyl-6-oxo-2-(4,8,12-trimethyltridecyl)-4,7,8,8a-tetrahydro-3H-chromene-2-carbonitrile CAS Name: 7,8-dimethyl-6-oxo-2-(4,8,12-trimethyltridecyl)-4,7,8,8a-tetrahydro-3H-1-benzopyran-2-carbonitrile IUPAC Name: 7,8-dimethyl-6-oxo-2-(4,8,12-trimethyltridecyl)-4,7,8,8a-tetrahydro-3H-chromene-2-carbonitrile Traditional Name: 6-keto-7,8-dimethyl-2-(4,8,12-trimethyltridecyl)-4,7,8,8a-tetrahydro-3H-chromene-2-carbonitrile Formula: C28H47NO2 MolecularWeight: 429.67828

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)C=C2C1OC(CC2)(CCCC(C)CCCC(C)CCCC(C)C)C#N)C

Isomeric SMILES

CC1C(C(=O)C=C2C1OC(CC2)(CCCC(C)CCCC(C)CCCC(C)C)C#N)C

InChI

InChI=1S/C28H47NO2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-28(19-29)17-15-25-18-26(30)23(5)24(6)27(25)31-28/h18,20-24,27H,7-17H2,1-6H3