1,5-bis(oxan-3-yl)-6-phenyl-cyclohexa-2,4-diene-1-sulfonate

Systemtic Name: 1,5-bis(oxan-3-yl)-6-phenyl-cyclohexa-2,4-diene-1-sulfonate Openeye Name: 6-phenyl-1,5-di(tetrahydropyran-3-yl)cyclohexa-2,4-diene-1-sulfonate CAS Name: 1,5-bis(3-oxanyl)-6-phenyl-1-cyclohexa-2,4-dienesulfonate IUPAC Name: 1,5-bis(oxan-3-yl)-6-phenylcyclohexa-2,4-diene-1-sulfonate Traditional Name: 6-phenyl-1,5-di(tetrahydropyran-3-yl)cyclohexa-2,4-diene-1-sulfonate Formula: C22H27O5S- MolecularWeight: 403.51178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(COC1)C2=CC=CC(C2C3=CC=CC=C3)(C4CCCOC4)S(=O)(=O)[O-]

Isomeric SMILES

C1CC(COC1)C2=CC=CC(C2C3=CC=CC=C3)(C4CCCOC4)S(=O)(=O)[O-]

InChI

InChI=1S/C22H28O5S/c23-28(24,25)22(19-10-6-14-27-16-19)12-4-11-20(18-9-5-13-26-15-18)21(22)17-7-2-1-3-8-17/h1-4,7-8,11-12,18-19,21H,5-6,9-10,13-16H2,(H,23,24,25)/p-1