ethyl 7-isocyano-2,2-dimethyl-7-(4-methylphenyl)sulfonyl-heptanoate

Systemtic Name: ethyl 7-isocyano-2,2-dimethyl-7-(4-methylphenyl)sulfonyl-heptanoate Openeye Name: ethyl 7-isocyano-2,2-dimethyl-7-(p-tolylsulfonyl)heptanoate CAS Name: 7-isocyano-2,2-dimethyl-7-(4-methylphenyl)sulfonylheptanoic acid ethyl ester IUPAC Name: ethyl 7-isocyano-2,2-dimethyl-7-(4-methylphenyl)sulfonylheptanoate Traditional Name: 7-isocyano-2,2-dimethyl-7-tosyl-enanthic acid ethyl ester Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCC([N+]#[C-])S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCC([N+]#[C-])S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C19H27NO4S/c1-6-24-18(21)19(3,4)14-8-7-9-17(20-5)25(22,23)16-12-10-15(2)11-13-16/h10-13,17H,6-9,14H2,1-4H3