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

Systemtic Name: 2-acetamido-5-[(2Z)-2-(3-tert-butyl-5-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonic acid Openeye Name: 2-acetamido-5-[(2Z)-2-(3-tert-butyl-5-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]benzenesulfonic acid CAS Name: 2-acetamido-5-[(2Z)-2-(3-tert-butyl-5-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]benzenesulfonic acid IUPAC Name: 2-acetamido-5-[(2Z)-2-(3-tert-butyl-5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonic acid Traditional Name: 2-acetamido-5-[(N'Z)-N'-(3-tert-butyl-6-keto-5-methyl-cyclohexa-2,4-dien-1-ylidene)hydrazino]besylic acid Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=NNC2=CC(=C(C=C2)NC(=O)C)S(=O)(=O)O)C1=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C/C(=N/NC2=CC(=C(C=C2)NC(=O)C)S(=O)(=O)O)/C1=O)C(C)(C)C

InChI

InChI=1S/C19H23N3O5S/c1-11-8-13(19(3,4)5)9-16(18(11)24)22-21-14-6-7-15(20-12(2)23)17(10-14)28(25,26)27/h6-10,21H,1-5H3,(H,20,23)(H,25,26,27)/b22-16-