3-[[(6E)-6-[(2-octadecoxycarbonylphenyl)hydrazinylidene]-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[(6E)-6-[(2-octadecoxycarbonylphenyl)hydrazinylidene]-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]amino]propane-1-sulfonic acid Openeye Name: 3-[[(6E)-6-[(2-octadecoxycarbonylphenyl)hydrazono]-3-oxo-cyclohexa-1,4-dien-1-yl]amino]propane-1-sulfonic acid CAS Name: 3-[[(6E)-6-[[2-[octadecoxy(oxo)methyl]phenyl]hydrazinylidene]-3-oxo-1-cyclohexa-1,4-dienyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[(6E)-6-[(2-octadecoxycarbonylphenyl)hydrazinylidene]-3-oxocyclohexa-1,4-dien-1-yl]amino]propane-1-sulfonic acid Traditional Name: 3-[[(6E)-3-keto-6-[(2-stearyloxycarbonylphenyl)hydrazono]cyclohexa-1,4-dien-1-yl]amino]propane-1-sulfonic acid Formula: C34H53N3O6S MolecularWeight: 631.86612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1NN=C2C=CC(=O)C=C2NCCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1N/N=C/2\C=CC(=O)C=C2NCCCS(=O)(=O)O

InChI

InChI=1S/C34H53N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-43-34(39)30-21-17-18-22-31(30)36-37-32-24-23-29(38)28-33(32)35-25-20-27-44(40,41)42/h17-18,21-24,28,35-36H,2-16,19-20,25-27H2,1H3,(H,40,41,42)/b37-32+