3-(ethoxycarbonylamino)-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 3-(ethoxycarbonylamino)-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 3-(ethoxycarbonylamino)-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 3-(ethoxycarbonylamino)-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 3-(ethoxycarbonylamino)-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 3-(carbethoxyamino)-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C13H13NO9S2 MolecularWeight: 391.37362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC(=C2C=C(C=C(C2=C1)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)NC1=CC(=C2C=C(C=C(C2=C1)O)S(=O)(=O)O)S(=O)(=O)O

InChI

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