sodium 3-[4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-oxidanylidene-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-yl]oxypropane-1-sulfonate

Systemtic Name: sodium 3-[4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-oxidanylidene-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-yl]oxypropane-1-sulfonate Openeye Name: sodium 3-[[4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-2-furyl]oxy]propane-1-sulfonate CAS Name: sodium 3-[[4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-2-furanyl]oxy]-1-propanesulfonate IUPAC Name: sodium 3-[4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-yl]oxypropane-1-sulfonate Traditional Name: sodium 3-[[4-(1,3-benzodioxol-5-yl)-5-keto-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxybenzyl)-2-furyl]oxy]propane-1-sulfonate Formula: C31H31NaO12S MolecularWeight: 650.62541

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC(=C(C(=C5)OC)OC)OC)OCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC(=C(C(=C5)OC)OC)OC)OCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C31H32O12S.Na/c1-36-22-9-7-21(8-10-22)31(42-12-5-13-44(33,34)35)23(14-19-15-26(37-2)29(39-4)27(16-19)38-3)28(30(32)43-31)20-6-11-24-25(17-20)41-18-40-24;/h6-11,15-17H,5,12-14,18H2,1-4H3,(H,33,34,35);/q;+1/p-1