4-[(2E)-2-(3-decoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-[(2E)-2-(3-decoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid Openeye Name: 4-[(2E)-2-(3-decoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]benzenesulfonic acid CAS Name: 4-[(2E)-2-(3-decoxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]benzenesulfonic acid IUPAC Name: 4-[(2E)-2-(3-decoxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid Traditional Name: 4-[(N'E)-N'-(3-decoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]besylic acid Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=NNC2=CC=C(C=C2)S(=O)(=O)O)C=CC1=O

Isomeric SMILES

CCCCCCCCCCOC1=C/C(=N/NC2=CC=C(C=C2)S(=O)(=O)O)/C=CC1=O

InChI

InChI=1S/C22H30N2O5S/c1-2-3-4-5-6-7-8-9-16-29-22-17-19(12-15-21(22)25)24-23-18-10-13-20(14-11-18)30(26,27)28/h10-15,17,23H,2-9,16H2,1H3,(H,26,27,28)/b24-19+