sodium [1-oxidanyl-1,4-bis(oxidanylidene)-4-[(Z,8R)-18-oxidanyl-18-oxidanylidene-octadec-9-en-8-yl]oxy-butan-2-yl] sulfite

Systemtic Name: sodium [1-oxidanyl-1,4-bis(oxidanylidene)-4-[(Z,8R)-18-oxidanyl-18-oxidanylidene-octadec-9-en-8-yl]oxy-butan-2-yl] sulfite Openeye Name: sodium [1-carboxy-3-[(Z,1R)-1-heptyl-11-hydroxy-11-oxo-undec-2-enoxy]-3-oxo-propyl] sulfite CAS Name: sodium [1-hydroxy-4-[(Z,8R)-18-hydroxy-18-oxooctadec-9-en-8-yl]oxy-1,4-dioxobutan-2-yl] sulfite IUPAC Name: sodium [1-hydroxy-4-[(Z,8R)-18-hydroxy-18-oxooctadec-9-en-8-yl]oxy-1,4-dioxobutan-2-yl] sulfite Traditional Name: sodium [1-carboxy-3-[(Z,1R)-1-heptyl-11-hydroxy-11-keto-undec-2-enoxy]-3-keto-propyl] sulfite Formula: C22H37NaO9S MolecularWeight: 500.57855

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C=CCCCCCCCC(=O)O)OC(=O)CC(C(=O)O)OS(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCC[C@H](/C=C\CCCCCCCC(=O)O)OC(=O)CC(C(=O)O)OS(=O)[O-].[Na+]

InChI

InChI=1S/C22H38O9S.Na/c1-2-3-4-8-11-14-18(15-12-9-6-5-7-10-13-16-20(23)24)30-21(25)17-19(22(26)27)31-32(28)29;/h12,15,18-19H,2-11,13-14,16-17H2,1H3,(H,23,24)(H,26,27)(H,28,29);/q;+1/p-1/b15-12-;/t18-,19?;/m1./s1