3-(1,3-benzodioxol-5-yl)-5-[4-[3-(dimethylamino)propoxy]phenyl]-5-oxidanyl-4-[(3,4,5-trimethoxyphenyl)methyl]furan-2-one; 2-oxidanylethanesulfonic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-[4-[3-(dimethylamino)propoxy]phenyl]-5-oxidanyl-4-[(3,4,5-trimethoxyphenyl)methyl]furan-2-one; 2-oxidanylethanesulfonic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-[(3,4,5-trimethoxyphenyl)methyl]furan-2-one; 2-hydroxyethanesulfonic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-5-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-[(3,4,5-trimethoxyphenyl)methyl]-2-furanone; 2-hydroxyethanesulfonic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-[(3,4,5-trimethoxyphenyl)methyl]furan-2-one; 2-hydroxyethanesulfonic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-(3,4,5-trimethoxybenzyl)furan-2-one; 2-hydroxyethanesulfonic acid Formula: C34H41NO13S MolecularWeight: 703.75324

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC(=C(C(=C5)OC)OC)OC)O.C(CS(=O)(=O)O)O

Isomeric SMILES

CN(C)CCCOC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC(=C(C(=C5)OC)OC)OC)O.C(CS(=O)(=O)O)O

InChI

InChI=1S/C32H35NO9.C2H6O4S/c1-33(2)13-6-14-39-23-10-8-22(9-11-23)32(35)24(15-20-16-27(36-3)30(38-5)28(17-20)37-4)29(31(34)42-32)21-7-12-25-26(18-21)41-19-40-25;3-1-2-7(4,5)6/h7-12,16-18,35H,6,13-15,19H2,1-5H3;3H,1-2H2,(H,4,5,6)