5-[(3-methylsulfanyloxyphenyl)carbonylamino]benzene-1,3-disulfonic acid

Systemtic Name: 5-[(3-methylsulfanyloxyphenyl)carbonylamino]benzene-1,3-disulfonic acid Openeye Name: 5-[(3-methylsulfanyloxybenzoyl)amino]benzene-1,3-disulfonic acid CAS Name: 5-[[[3-(methylthio)oxyphenyl]-oxomethyl]amino]benzene-1,3-disulfonic acid IUPAC Name: 5-[(3-methylsulfanyloxybenzoyl)amino]benzene-1,3-disulfonic acid Traditional Name: 5-[[3-(methylthio)oxybenzoyl]amino]benzene-1,3-disulfonic acid Formula: C14H13NO8S3 MolecularWeight: 419.44992

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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

Isomeric SMILES

CSOC1=CC=CC(=C1)C(=O)NC2=CC(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H13NO8S3/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)