6-[(5-carboxylato-2-methyl-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: 6-[(5-carboxylato-2-methyl-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: 6-[(5-carboxylato-2-methyl-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-[(5-carboxylato-2-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylate IUPAC Name: 6-[(5-carboxylato-2-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-[(5-carboxylato-2-methyl-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylate Formula: C17H13NO8S-2 MolecularWeight: 391.35202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCO3

InChI

InChI=1S/C17H15NO8S/c1-9-2-3-10(16(19)20)6-15(9)27(23,24)18-12-8-14-13(25-4-5-26-14)7-11(12)17(21)22/h2-3,6-8,18H,4-5H2,1H3,(H,19,20)(H,21,22)/p-2