dipotassium 4-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)sulfonylamino]ethoxy]-3-propyl-benzoate

Systemtic Name: dipotassium 4-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)sulfonylamino]ethoxy]-3-propyl-benzoate Openeye Name: dipotassium 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-isopropylphenyl)sulfonylamino]-2-oxo-ethoxy]-3-propyl-benzoate CAS Name: dipotassium 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]ethoxy]-3-propylbenzoate IUPAC Name: dipotassium 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]ethoxy]-3-propylbenzoate Traditional Name: dipotassium 4-[1-(1,3-benzodioxol-5-yl)-2-keto-2-(p-cumenylsulfonylamino)ethoxy]-3-propyl-benzoate Formula: C56H56K2N2O16S2 MolecularWeight: 1155.37424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)[O-])OC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C(C)C.CCCC1=C(C=CC(=C1)C(=O)[O-])OC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C(C)C.[K+].[K+]

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)[O-])OC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C(C)C.CCCC1=C(C=CC(=C1)C(=O)[O-])OC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C(C)C.[K+].[K+]

InChI

InChI=1S/2C28H29NO8S.2K/c2*1-4-5-19-14-21(28(31)32)9-12-23(19)37-26(20-8-13-24-25(15-20)36-16-35-24)27(30)29-38(33,34)22-10-6-18(7-11-22)17(2)3;;/h2*6-15,17,26H,4-5,16H2,1-3H3,(H,29,30)(H,31,32);;/q;;2*+1/p-2