disodium 5-(propanoylamino)-2-[4-(propanoylamino)-2-sulfinatooxy-phenyl]benzenesulfonate

Systemtic Name: disodium 5-(propanoylamino)-2-[4-(propanoylamino)-2-sulfinatooxy-phenyl]benzenesulfonate Openeye Name: disodium 5-(propanoylamino)-2-[4-(propanoylamino)-2-sulfinatooxy-phenyl]benzenesulfonate CAS Name: disodium 5-(1-oxopropylamino)-2-[4-(1-oxopropylamino)-2-sulfinatooxyphenyl]benzenesulfonate IUPAC Name: disodium 5-(propanoylamino)-2-[4-(propanoylamino)-2-sulfinatooxyphenyl]benzenesulfonate Traditional Name: disodium 5-propionamido-2-(4-propionamido-2-sulfito-phenyl)besylate Formula: C18H18N2Na2O8S2 MolecularWeight: 500.45366

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C2=C(C=C(C=C2)NC(=O)CC)S(=O)(=O)[O-])OS(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C2=C(C=C(C=C2)NC(=O)CC)S(=O)(=O)[O-])OS(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H20N2O8S2.2Na/c1-3-17(21)19-11-5-7-13(15(9-11)28-29(23)24)14-8-6-12(20-18(22)4-2)10-16(14)30(25,26)27;;/h5-10H,3-4H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26,27);;/q;2*+1/p-2