4-(ethoxycarbonylamino)-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-(ethoxycarbonylamino)-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-(ethoxycarbonylamino)-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-(ethoxycarbonylamino)-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-(ethoxycarbonylamino)-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-(carbethoxyamino)-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C13H13NO9S2 MolecularWeight: 391.37362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O

InChI

InChI=1S/C13H13NO9S2/c1-2-23-13(16)14-10-5-8(24(17,18)19)3-7-4-9(25(20,21)22)6-11(15)12(7)10/h3-6,15H,2H2,1H3,(H,14,16)(H,17,18,19)(H,20,21,22)