2-(2-hydroxyethyloxy)ethanol; [(E)-octadec-9-enyl] sulfate

Systemtic Name: 2-(2-hydroxyethyloxy)ethanol; [(E)-octadec-9-enyl] sulfate Openeye Name: 2-(2-hydroxyethoxy)ethanol; [(E)-octadec-9-enyl] sulfate CAS Name: 2-(2-hydroxyethoxy)ethanol; [(E)-octadec-9-enyl] sulfate IUPAC Name: 2-(2-hydroxyethoxy)ethanol; [(E)-octadec-9-enyl] sulfate Traditional Name: 2-(2-hydroxyethoxy)ethanol; [(E)-octadec-9-enyl] sulfate Formula: C22H45O7S- MolecularWeight: 453.6535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOS(=O)(=O)[O-].C(COCCO)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOS(=O)(=O)[O-].C(COCCO)O

InChI

InChI=1S/C18H36O4S.C4H10O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;5-1-3-7-4-2-6/h9-10H,2-8,11-18H2,1H3,(H,19,20,21);5-6H,1-4H2/p-1/b10-9+;