dipotassium 5-[(3-methylsulfanyloxyphenyl)carbonylamino]benzene-1,3-disulfonate

Systemtic Name: dipotassium 5-[(3-methylsulfanyloxyphenyl)carbonylamino]benzene-1,3-disulfonate Openeye Name: dipotassium 5-[(3-methylsulfanyloxybenzoyl)amino]benzene-1,3-disulfonate CAS Name: dipotassium 5-[[[3-(methylthio)oxyphenyl]-oxomethyl]amino]benzene-1,3-disulfonate IUPAC Name: dipotassium 5-[(3-methylsulfanyloxybenzoyl)amino]benzene-1,3-disulfonate Traditional Name: dipotassium 5-[[3-(methylthio)oxybenzoyl]amino]benzene-1,3-disulfonate Formula: C14H11K2NO8S3 MolecularWeight: 495.63064

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Descriptors Computed from Structure

Canonical SMILES:

CSOC1=CC=CC(=C1)C(=O)NC2=CC(=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]

Isomeric SMILES

CSOC1=CC=CC(=C1)C(=O)NC2=CC(=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]

InChI

InChI=1S/C14H13NO8S3.2K/c1-24-23-11-4-2-3-9(5-11)14(16)15-10-6-12(25(17,18)19)8-13(7-10)26(20,21)22;;/h2-8H,1H3,(H,15,16)(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2