4-[ethanoyl(methylamino)amino]-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 4-[ethanoyl(methylamino)amino]-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 4-[acetyl(methylamino)amino]-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 4-[acetyl(methylamino)amino]-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 4-[acetyl(methylamino)amino]-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 4-[acetyl(methylamino)amino]-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C13H14N2O8S2 MolecularWeight: 390.38886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=C2C(=CC(=CC2=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)O)NC

Isomeric SMILES

CC(=O)N(C1=C2C(=CC(=CC2=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)O)NC

InChI

InChI=1S/C13H14N2O8S2/c1-7(16)15(14-2)10-3-4-12(25(21,22)23)9-5-8(24(18,19)20)6-11(17)13(9)10/h3-6,14,17H,1-2H3,(H,18,19,20)(H,21,22,23)