methyl (5R,12R)-3-butyl-2-(4-methylphenyl)sulfinyl-4-oxidanylidene-spiro[4.7]dodec-2-ene-12-carboxylate

Systemtic Name: methyl (5R,12R)-3-butyl-2-(4-methylphenyl)sulfinyl-4-oxidanylidene-spiro[4.7]dodec-2-ene-12-carboxylate Openeye Name: methyl (5R,12R)-3-butyl-4-oxo-2-(p-tolylsulfinyl)spiro[4.7]dodec-2-ene-12-carboxylate CAS Name: (5R,12R)-3-butyl-2-(4-methylphenyl)sulfinyl-4-oxo-12-spiro[4.7]dodec-2-enecarboxylic acid methyl ester IUPAC Name: methyl (5R,12R)-3-butyl-2-(4-methylphenyl)sulfinyl-4-oxospiro[4.7]dodec-2-ene-12-carboxylate Traditional Name: (5R,12R)-3-butyl-4-keto-2-(p-tolylsulfinyl)spiro[4.7]dodec-2-ene-12-carboxylic acid methyl ester Formula: C25H34O4S MolecularWeight: 430.60006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(CC2(C1=O)CCCCCCC2C(=O)OC)S(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=C(C[C@]2(C1=O)CCCCCC[C@H]2C(=O)OC)S(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H34O4S/c1-4-5-10-20-22(30(28)19-14-12-18(2)13-15-19)17-25(23(20)26)16-9-7-6-8-11-21(25)24(27)29-3/h12-15,21H,4-11,16-17H2,1-3H3/t21-,25+,30?/m0/s1