2-[[(1Z)-1-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)dodecyl]amino]oxyethanesulfonic acid

Systemtic Name: 2-[[(1Z)-1-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)dodecyl]amino]oxyethanesulfonic acid Openeye Name: 2-[[(1Z)-1-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)dodecyl]amino]oxyethanesulfonic acid CAS Name: 2-[[(1Z)-1-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)dodecyl]amino]oxyethanesulfonic acid IUPAC Name: 2-[[(1Z)-1-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)dodecyl]amino]oxyethanesulfonic acid Traditional Name: 2-[[(1Z)-1-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)dodecyl]amino]oxyethanesulfonic acid Formula: C21H35NO5S MolecularWeight: 413.5713

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=C1C=C(C=CC1=O)C)NOCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCC/C(=C/1\C=C(C=CC1=O)C)/NOCCS(=O)(=O)O

InChI

InChI=1S/C21H35NO5S/c1-3-4-5-6-7-8-9-10-11-12-20(22-27-15-16-28(24,25)26)19-17-18(2)13-14-21(19)23/h13-14,17,22H,3-12,15-16H2,1-2H3,(H,24,25,26)/b20-19-