[8-(2-cyanoethyl)-5-methyl-7-methylidene-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-yl] methanesulfonate

Systemtic Name: [8-(2-cyanoethyl)-5-methyl-7-methylidene-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-yl] methanesulfonate Openeye Name: [8-(2-cyanoethyl)-5-methyl-7-methylene-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-yl] methanesulfonate CAS Name: methanesulfonic acid [8-(2-cyanoethyl)-5-methyl-7-methylene-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-yl] ester IUPAC Name: [8-(2-cyanoethyl)-5-methyl-7-methylidene-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [8-(2-cyanoethyl)-5-methyl-7-methylene-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-yl] ester Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=C)C(C2C1C3=C(CC2)C=C(C=C3)OS(=O)(=O)C)CCC#N

Isomeric SMILES

CC1CC(=C)C(C2C1C3=C(CC2)C=C(C=C3)OS(=O)(=O)C)CCC#N

InChI

InChI=1S/C20H25NO3S/c1-13-11-14(2)20-18-9-7-16(24-25(3,22)23)12-15(18)6-8-19(20)17(13)5-4-10-21/h7,9,12,14,17,19-20H,1,4-6,8,11H2,2-3H3