[3-[(2E)-5-methylhexa-2,4-dienyl]-5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-yl] methanesulfonate

Systemtic Name: [3-[(2E)-5-methylhexa-2,4-dienyl]-5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-yl] methanesulfonate Openeye Name: [5-hydroxy-3-[(2E)-5-methylhexa-2,4-dienyl]-4-oxo-2-phenyl-chromen-7-yl] methanesulfonate CAS Name: methanesulfonic acid [5-hydroxy-3-[(2E)-5-methylhexa-2,4-dienyl]-4-oxo-2-phenyl-1-benzopyran-7-yl] ester IUPAC Name: [5-hydroxy-3-[(2E)-5-methylhexa-2,4-dienyl]-4-oxo-2-phenylchromen-7-yl] methanesulfonate Traditional Name: methanesulfonic acid [5-hydroxy-4-keto-3-[(2E)-5-methylhexa-2,4-dienyl]-2-phenyl-chromen-7-yl] ester Formula: C23H22O6S MolecularWeight: 426.48218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=CCC1=C(OC2=CC(=CC(=C2C1=O)O)OS(=O)(=O)C)C3=CC=CC=C3)C

Isomeric SMILES

CC(=C/C=C/CC1=C(OC2=CC(=CC(=C2C1=O)O)OS(=O)(=O)C)C3=CC=CC=C3)C

InChI

InChI=1S/C23H22O6S/c1-15(2)9-7-8-12-18-22(25)21-19(24)13-17(29-30(3,26)27)14-20(21)28-23(18)16-10-5-4-6-11-16/h4-11,13-14,24H,12H2,1-3H3/b8-7+