4-[2-(methylamino)ethanoylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[2-(methylamino)ethanoylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-hydroxy-5-[[2-(methylamino)acetyl]amino]naphthalene-2,7-disulfonic acid CAS Name: 4-hydroxy-5-[[2-(methylamino)-1-oxoethyl]amino]naphthalene-2,7-disulfonic acid IUPAC Name: 4-hydroxy-5-[[2-(methylamino)acetyl]amino]naphthalene-2,7-disulfonic acid Traditional Name: 4-hydroxy-5-(sarcosylamino)naphthalene-2,7-disulfonic acid Formula: C13H14N2O8S2 MolecularWeight: 390.38886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O8S2/c1-14-6-12(17)15-10-4-8(24(18,19)20)2-7-3-9(25(21,22)23)5-11(16)13(7)10/h2-5,14,16H,6H2,1H3,(H,15,17)(H,18,19,20)(H,21,22,23)