[1-methoxy-8-methyl-2-[(E)-3-methylbut-1-enyl]-12-oxidanylidene-10H-benzo[b][1,5]benzodioxocin-6-yl] propane-2-sulfonate

Systemtic Name: [1-methoxy-8-methyl-2-[(E)-3-methylbut-1-enyl]-12-oxidanylidene-10H-benzo[b][1,5]benzodioxocin-6-yl] propane-2-sulfonate Openeye Name: [1-methoxy-8-methyl-2-[(E)-3-methylbut-1-enyl]-12-oxo-10H-benzo[b][1,5]benzodioxocin-6-yl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [1-methoxy-8-methyl-2-[(E)-3-methylbut-1-enyl]-12-oxo-10H-benzo[b][1,5]benzodioxocin-6-yl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [12-keto-1-methoxy-8-methyl-2-[(E)-3-methylbut-1-enyl]-10H-benzo[b][1,5]benzodioxocin-6-yl] ester Formula: C24H28O7S MolecularWeight: 460.53992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)COC(=O)C3=C(O2)C=CC(=C3OC)C=CC(C)C)OS(=O)(=O)C(C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)COC(=O)C3=C(O2)C=CC(=C3OC)/C=C/C(C)C)OS(=O)(=O)C(C)C

InChI

InChI=1S/C24H28O7S/c1-14(2)7-8-17-9-10-19-21(23(17)28-6)24(25)29-13-18-11-16(5)12-20(22(18)30-19)31-32(26,27)15(3)4/h7-12,14-15H,13H2,1-6H3/b8-7+