calcium [(Z)-octadec-9-enyl] sulfate

Systemtic Name: calcium [(Z)-octadec-9-enyl] sulfate Openeye Name: calcium [(Z)-octadec-9-enyl] sulfate CAS Name: calcium [(Z)-octadec-9-enyl] sulfate IUPAC Name: calcium [(Z)-octadec-9-enyl] sulfate Traditional Name: calcium [(Z)-octadec-9-enyl] sulfate Formula: C36H70CaO8S2 MolecularWeight: 735.1442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCC=CCCCCCCCCOS(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCOS(=O)(=O)[O-].CCCCCCCC/C=C\CCCCCCCCOS(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C18H36O4S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h2*9-10H,2-8,11-18H2,1H3,(H,19,20,21);/q;;+2/p-2/b2*10-9-;