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

Systemtic Name: 6-[(5-carboxylato-2,3-dimethyl-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: 6-[(5-carboxylato-2,3-dimethyl-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-[(5-carboxylato-2,3-dimethylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylate IUPAC Name: 6-[(5-carboxylato-2,3-dimethylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-[(5-carboxylato-2,3-dimethyl-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylate Formula: C18H15NO8S-2 MolecularWeight: 405.3786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO8S/c1-9-5-11(17(20)21)6-16(10(9)2)28(24,25)19-13-8-15-14(26-3-4-27-15)7-12(13)18(22)23/h5-8,19H,3-4H2,1-2H3,(H,20,21)(H,22,23)/p-2