sodium [(3R,4S)-3-[(E)-octadec-9-enoyl]oxyoxan-4-yl] sulfate

Systemtic Name: sodium [(3R,4S)-3-[(E)-octadec-9-enoyl]oxyoxan-4-yl] sulfate Openeye Name: sodium [(3R,4S)-3-[(E)-octadec-9-enoyl]oxytetrahydropyran-4-yl] sulfate CAS Name: sodium [(3R,4S)-3-[(E)-1-oxooctadec-9-enoxy]-4-oxanyl] sulfate IUPAC Name: sodium [(3R,4S)-3-[(E)-octadec-9-enoyl]oxyoxan-4-yl] sulfate Traditional Name: sodium [(3R,4S)-3-[(E)-octadec-9-enoyl]oxytetrahydropyran-4-yl] sulfate Formula: C23H41NaO7S MolecularWeight: 484.62221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1COCCC1OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O[C@@H]1COCC[C@@H]1OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C23H42O7S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(24)29-22-20-28-19-18-21(22)30-31(25,26)27;/h9-10,21-22H,2-8,11-20H2,1H3,(H,25,26,27);/q;+1/p-1/b10-9+;/t21-,22+;/m0./s1