4-acetamido-5-methoxycarbonyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-acetamido-5-methoxycarbonyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-acetamido-5-methoxycarbonyl-naphthalene-2,7-disulfonic acid CAS Name: 4-acetamido-5-methoxycarbonylnaphthalene-2,7-disulfonic acid IUPAC Name: 4-acetamido-5-methoxycarbonylnaphthalene-2,7-disulfonic acid Traditional Name: 4-acetamido-5-carbomethoxy-naphthalene-2,7-disulfonic acid Formula: C14H13NO9S2 MolecularWeight: 403.38432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC2=CC(=CC(=C21)C(=O)OC)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=CC2=CC(=CC(=C21)C(=O)OC)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H13NO9S2/c1-7(16)15-12-6-10(26(21,22)23)4-8-3-9(25(18,19)20)5-11(13(8)12)14(17)24-2/h3-6H,1-2H3,(H,15,16)(H,18,19,20)(H,21,22,23)