4-(2-methylpropanoylamino)-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 4-(2-methylpropanoylamino)-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 5-hydroxy-4-(2-methylpropanoylamino)naphthalene-1,7-disulfonic acid CAS Name: 5-hydroxy-4-[(2-methyl-1-oxopropyl)amino]naphthalene-1,7-disulfonic acid IUPAC Name: 5-hydroxy-4-(2-methylpropanoylamino)naphthalene-1,7-disulfonic acid Traditional Name: 5-hydroxy-4-(isobutyrylamino)naphthalene-1,7-disulfonic acid Formula: C14H15NO8S2 MolecularWeight: 389.4008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO8S2/c1-7(2)14(17)15-10-3-4-12(25(21,22)23)9-5-8(24(18,19)20)6-11(16)13(9)10/h3-7,16H,1-2H3,(H,15,17)(H,18,19,20)(H,21,22,23)