2-acetamido-5-[(2Z)-2-(3-tert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonic acid

Systemtic Name: 2-acetamido-5-[(2Z)-2-(3-tert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonic acid Openeye Name: 2-acetamido-5-[(2Z)-2-(3-tert-butyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]benzenesulfonic acid CAS Name: 2-acetamido-5-[(2Z)-2-(3-tert-butyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]benzenesulfonic acid IUPAC Name: 2-acetamido-5-[(2Z)-2-(3-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonic acid Traditional Name: 2-acetamido-5-[(N'Z)-N'-(3-tert-butyl-6-keto-cyclohexa-2,4-dien-1-ylidene)hydrazino]besylic acid Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)N/N=C\2/C=C(C=CC2=O)C(C)(C)C)S(=O)(=O)O

InChI

InChI=1S/C18H21N3O5S/c1-11(22)19-14-7-6-13(10-17(14)27(24,25)26)20-21-15-9-12(18(2,3)4)5-8-16(15)23/h5-10,20H,1-4H3,(H,19,22)(H,24,25,26)/b21-15-