4-[[(4-octadecylsulfonylphenyl)amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[(4-octadecylsulfonylphenyl)amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[(4-octadecylsulfonylanilino)methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[(4-octadecylsulfonylanilino)methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(4-octadecylsulfonylanilino)methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[(4-stearylsulfonylanilino)methylene]cyclohexa-2,5-dien-1-one Formula: C31H47NO3S MolecularWeight: 513.77478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)NC=C2C=CC(=O)C=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)NC=C2C=CC(=O)C=C2

InChI

InChI=1S/C31H47NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-36(34,35)31-24-20-29(21-25-31)32-27-28-18-22-30(33)23-19-28/h18-25,27,32H,2-17,26H2,1H3