4-[4-[(Z)-1-cyano-2-(4-methylphenyl)ethenyl]phenyl]butane-1-sulfonic acid

Systemtic Name: 4-[4-[(Z)-1-cyano-2-(4-methylphenyl)ethenyl]phenyl]butane-1-sulfonic acid Openeye Name: 4-[4-[(Z)-1-cyano-2-(p-tolyl)vinyl]phenyl]butane-1-sulfonic acid CAS Name: 4-[4-[(Z)-1-cyano-2-(4-methylphenyl)ethenyl]phenyl]-1-butanesulfonic acid IUPAC Name: 4-[4-[(Z)-1-cyano-2-(4-methylphenyl)ethenyl]phenyl]butane-1-sulfonic acid Traditional Name: 4-[4-[(Z)-1-cyano-2-(p-tolyl)vinyl]phenyl]butane-1-sulfonic acid Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C2=CC=C(C=C2)CCCCS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C2=CC=C(C=C2)CCCCS(=O)(=O)O

InChI

InChI=1S/C20H21NO3S/c1-16-5-7-18(8-6-16)14-20(15-21)19-11-9-17(10-12-19)4-2-3-13-25(22,23)24/h5-12,14H,2-4,13H2,1H3,(H,22,23,24)/b20-14+