[4-methyl-2-oxidanylidene-6-[(E)-2-phenylhex-1-enyl]pyridin-1-yl] 4-methoxybenzenesulfonate

Systemtic Name: [4-methyl-2-oxidanylidene-6-[(E)-2-phenylhex-1-enyl]pyridin-1-yl] 4-methoxybenzenesulfonate Openeye Name: [4-methyl-2-oxo-6-[(E)-2-phenylhex-1-enyl]-1-pyridyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-methyl-2-oxo-6-[(E)-2-phenylhex-1-enyl]-1-pyridinyl] ester IUPAC Name: [4-methyl-2-oxo-6-[(E)-2-phenylhex-1-enyl]pyridin-1-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-keto-4-methyl-6-[(E)-2-phenylhex-1-enyl]-1-pyridyl] ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CC1=CC(=CC(=O)N1OS(=O)(=O)C2=CC=C(C=C2)OC)C)C3=CC=CC=C3

Isomeric SMILES

CCCC/C(=C\C1=CC(=CC(=O)N1OS(=O)(=O)C2=CC=C(C=C2)OC)C)/C3=CC=CC=C3

InChI

InChI=1S/C25H27NO5S/c1-4-5-9-21(20-10-7-6-8-11-20)18-22-16-19(2)17-25(27)26(22)31-32(28,29)24-14-12-23(30-3)13-15-24/h6-8,10-18H,4-5,9H2,1-3H3/b21-18+