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

Systemtic Name: 4-(ethoxycarbonylamino)-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 4-(ethoxycarbonylamino)-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 4-(ethoxycarbonylamino)-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 4-(ethoxycarbonylamino)-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 4-(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=C2C(=CC(=CC2=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

CCOC(=O)NC1=C2C(=CC(=CC2=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)O

InChI

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