[7-[(4-methoxyphenyl)methoxy]-8-oxidanylidene-spiro[4.4]nonan-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [7-[(4-methoxyphenyl)methoxy]-8-oxidanylidene-spiro[4.4]nonan-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [7-[(4-methoxyphenyl)methoxy]-8-oxo-spiro[4.4]nonan-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [7-[(4-methoxyphenyl)methoxy]-8-oxo-4-spiro[4.4]nonanyl]methyl ester IUPAC Name: [7-[(4-methoxyphenyl)methoxy]-8-oxospiro[4.4]nonan-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (8-keto-7-p-anisyloxy-spiro[4.4]nonan-4-yl)methyl ester Formula: C25H30O6S MolecularWeight: 458.5671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCC23CC(C(=O)C3)OCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCC23CC(C(=O)C3)OCC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H30O6S/c1-18-5-11-22(12-6-18)32(27,28)31-17-20-4-3-13-25(20)14-23(26)24(15-25)30-16-19-7-9-21(29-2)10-8-19/h5-12,20,24H,3-4,13-17H2,1-2H3