[3-isothiocyanato-4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl] methanesulfonate

Systemtic Name: [3-isothiocyanato-4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl] methanesulfonate Openeye Name: [3-isothiocyanato-4-[(E)-3-tetrahydropyran-2-yloxyprop-1-enyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-isothiocyanato-4-[(E)-3-(2-oxanyloxy)prop-1-enyl]phenyl] ester IUPAC Name: [3-isothiocyanato-4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-isothiocyanato-4-[(E)-3-tetrahydropyran-2-yloxyprop-1-enyl]phenyl] ester Formula: C16H19NO5S2 MolecularWeight: 369.45576

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC(=C(C=C1)C=CCOC2CCCCO2)N=C=S

Isomeric SMILES

CS(=O)(=O)OC1=CC(=C(C=C1)/C=C/COC2CCCCO2)N=C=S

InChI

InChI=1S/C16H19NO5S2/c1-24(18,19)22-14-8-7-13(15(11-14)17-12-23)5-4-10-21-16-6-2-3-9-20-16/h4-5,7-8,11,16H,2-3,6,9-10H2,1H3/b5-4+