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

Systemtic Name: 6-[(5-carboxylato-2-methoxy-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: 6-[(5-carboxylato-2-methoxy-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-[(5-carboxylato-2-methoxyphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylate IUPAC Name: 6-[(5-carboxylato-2-methoxyphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-[(5-carboxylato-2-methoxy-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylate Formula: C17H13NO9S-2 MolecularWeight: 407.35142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCO3

InChI

InChI=1S/C17H15NO9S/c1-25-12-3-2-9(16(19)20)6-15(12)28(23,24)18-11-8-14-13(26-4-5-27-14)7-10(11)17(21)22/h2-3,6-8,18H,4-5H2,1H3,(H,19,20)(H,21,22)/p-2