[(Z)-[(E)-1-cyano-3-(2-methoxyphenyl)prop-2-enylidene]amino] octane-1-sulfonate

Systemtic Name: [(Z)-[(E)-1-cyano-3-(2-methoxyphenyl)prop-2-enylidene]amino] octane-1-sulfonate Openeye Name: [(Z)-[(E)-1-cyano-3-(2-methoxyphenyl)prop-2-enylidene]amino] octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: [(Z)-[(E)-1-cyano-3-(2-methoxyphenyl)prop-2-enylidene]amino] octane-1-sulfonate Traditional Name: octane-1-sulfonic acid [(Z)-[(E)-1-cyano-3-(2-methoxyphenyl)prop-2-enylidene]amino] ester Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)ON=C(C=CC1=CC=CC=C1OC)C#N

Isomeric SMILES

CCCCCCCCS(=O)(=O)O/N=C(/C=C/C1=CC=CC=C1OC)\C#N

InChI

InChI=1S/C19H26N2O4S/c1-3-4-5-6-7-10-15-26(22,23)25-21-18(16-20)14-13-17-11-8-9-12-19(17)24-2/h8-9,11-14H,3-7,10,15H2,1-2H3/b14-13+,21-18-