2-(phenoxathiin-3-ylsulfonylamino)butanedioic acid

Systemtic Name: 2-(phenoxathiin-3-ylsulfonylamino)butanedioic acid Openeye Name: 2-(phenoxathiin-3-ylsulfonylamino)butanedioic acid CAS Name: 2-(3-phenoxathiinylsulfonylamino)butanedioic acid IUPAC Name: 2-(phenoxathiin-3-ylsulfonylamino)butanedioic acid Traditional Name: 2-(phenoxathiin-3-ylsulfonylamino)succinic acid Formula: C16H13NO7S2 MolecularWeight: 395.40692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC3=C(S2)C=CC(=C3)S(=O)(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)OC3=C(S2)C=CC(=C3)S(=O)(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C16H13NO7S2/c18-15(19)8-10(16(20)21)17-26(22,23)9-5-6-14-12(7-9)24-11-3-1-2-4-13(11)25-14/h1-7,10,17H,8H2,(H,18,19)(H,20,21)