(2Z)-4-acetamido-3-oxidanylidene-2-(phenylhydrazinylidene)naphthalene-1,1,6,8a-tetrasulfonic acid

Systemtic Name: (2Z)-4-acetamido-3-oxidanylidene-2-(phenylhydrazinylidene)naphthalene-1,1,6,8a-tetrasulfonic acid Openeye Name: (2Z)-4-acetamido-3-oxo-2-(phenylhydrazono)naphthalene-1,1,6,8a-tetrasulfonic acid CAS Name: (2Z)-4-acetamido-3-oxo-2-(phenylhydrazinylidene)naphthalene-1,1,6,8a-tetrasulfonic acid IUPAC Name: (2Z)-4-acetamido-3-oxo-2-(phenylhydrazinylidene)naphthalene-1,1,6,8a-tetrasulfonic acid Traditional Name: (2Z)-4-acetamido-3-keto-2-(phenylhydrazono)naphthalene-1,1,6,8a-tetrasulfonic acid Formula: C18H17N3O14S4 MolecularWeight: 627.59928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C=C(C=CC2(C(C(=NNC3=CC=CC=C3)C1=O)(S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C2C=C(C=CC2(C(/C(=N\NC3=CC=CC=C3)/C1=O)(S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H17N3O14S4/c1-10(22)19-14-13-9-12(36(24,25)26)7-8-17(13,37(27,28)29)18(38(30,31)32,39(33,34)35)16(15(14)23)21-20-11-5-3-2-4-6-11/h2-9,20H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35)/b21-16-