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

Systemtic Name: 2-acetamido-5-[(2E)-2-(3,5-ditert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonic acid Openeye Name: 2-acetamido-5-[(2E)-2-(3,5-ditert-butyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]benzenesulfonic acid CAS Name: 2-acetamido-5-[(2E)-2-(3,5-ditert-butyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]benzenesulfonic acid IUPAC Name: 2-acetamido-5-[(2E)-2-(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonic acid Traditional Name: 2-acetamido-5-[(N'E)-N'-(3,5-ditert-butyl-6-keto-cyclohexa-2,4-dien-1-ylidene)hydrazino]besylic acid Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NN=C2C=C(C=C(C2=O)C(C)(C)C)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=C(C2=O)C(C)(C)C)C(C)(C)C)S(=O)(=O)O

InChI

InChI=1S/C22H29N3O5S/c1-13(26)23-17-9-8-15(12-19(17)31(28,29)30)24-25-18-11-14(21(2,3)4)10-16(20(18)27)22(5,6)7/h8-12,24H,1-7H3,(H,23,26)(H,28,29,30)/b25-18+