sodium 3-[(2E)-2-(8-acetamido-2-oxidanylidene-naphthalen-1-ylidene)hydrazinyl]-5-chloranyl-4-oxidanyl-benzenesulfonate

Systemtic Name: sodium 3-[(2E)-2-(8-acetamido-2-oxidanylidene-naphthalen-1-ylidene)hydrazinyl]-5-chloranyl-4-oxidanyl-benzenesulfonate Openeye Name: sodium 3-[(2E)-2-(8-acetamido-2-oxo-1-naphthylidene)hydrazino]-5-chloro-4-hydroxy-benzenesulfonate CAS Name: sodium 3-[(2E)-2-(8-acetamido-2-oxo-1-naphthalenylidene)hydrazinyl]-5-chloro-4-hydroxybenzenesulfonate IUPAC Name: sodium 3-[(2E)-2-(8-acetamido-2-oxonaphthalen-1-ylidene)hydrazinyl]-5-chloro-4-hydroxybenzenesulfonate Traditional Name: sodium 3-[(N'E)-N'-(8-acetamido-2-keto-1-naphthylidene)hydrazino]-5-chloro-4-hydroxy-besylate Formula: C18H13ClN3NaO6S MolecularWeight: 457.82009

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC2=C1C(=NNC3=CC(=CC(=C3O)Cl)S(=O)(=O)[O-])C(=O)C=C2.[Na+]

Isomeric SMILES

CC(=O)NC1=CC=CC2=C1/C(=N\NC3=CC(=CC(=C3O)Cl)S(=O)(=O)[O-])/C(=O)C=C2.[Na+]

InChI

InChI=1S/C18H14ClN3O6S.Na/c1-9(23)20-13-4-2-3-10-5-6-15(24)17(16(10)13)22-21-14-8-11(29(26,27)28)7-12(19)18(14)25;/h2-8,21,25H,1H3,(H,20,23)(H,26,27,28);/q;+1/p-1/b22-17-;