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

Systemtic Name: 4-acetamido-5-acetyloxy-naphthalene-2,7-disulfonic acid Openeye Name: 4-acetamido-5-acetoxy-naphthalene-2,7-disulfonic acid CAS Name: 4-acetamido-5-acetyloxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-acetamido-5-acetyloxynaphthalene-2,7-disulfonic acid Traditional Name: 4-acetamido-5-acetoxy-naphthalene-2,7-disulfonic acid Formula: C14H13NO9S2 MolecularWeight: 403.38432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2OC(=O)C)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2OC(=O)C)S(=O)(=O)O

InChI

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