[(Z)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] sulfate; pyridin-1-ium

Systemtic Name: [(Z)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] sulfate; pyridin-1-ium Openeye Name: [(Z)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] sulfate; pyridin-1-ium CAS Name: [(Z)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] sulfate; pyridin-1-ium IUPAC Name: [(Z)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] sulfate; pyridin-1-ium Traditional Name: [(Z)-4-p-anisyloxybut-2-enyl] sulfate; pyridin-1-ium Formula: C17H21NO6S MolecularWeight: 367.41674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COCC=CCOS(=O)(=O)[O-].C1=CC=[NH+]C=C1

Isomeric SMILES

COC1=CC=C(C=C1)COC/C=C\COS(=O)(=O)[O-].C1=CC=[NH+]C=C1

InChI

InChI=1S/C12H16O6S.C5H5N/c1-16-12-6-4-11(5-7-12)10-17-8-2-3-9-18-19(13,14)15;1-2-4-6-5-3-1/h2-7H,8-10H2,1H3,(H,13,14,15);1-5H/b3-2-;