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sodium (Z,12R)-12-oxidanyl-2-sulfo-octadec-9-enoate

sodium (Z,12R)-12-oxidanyl-2-sulfo-octadec-9-enoate

Systemtic Name:sodium (Z,12R)-12-oxidanyl-2-sulfo-octadec-9-enoate
Openeye Name:sodium (Z,12R)-12-hydroxy-2-sulfo-octadec-9-enoate
CAS Name:sodium (Z,12R)-12-hydroxy-2-sulfo-9-octadecenoate
IUPAC Name:sodium (Z,12R)-12-hydroxy-2-sulfooctadec-9-enoate
Traditional Name:sodium (Z,12R)-12-hydroxy-2-sulfo-octadec-9-enoate
Formula: C18H33NaO6S
MolecularWeight: 400.50579
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCC(C(=O)[O-])S(=O)(=O)O)O.[Na+]


Isomeric SMILES

CCCCCC[C@H](C/C=C\CCCCCCC(C(=O)[O-])S(=O)(=O)O)O.[Na+]


InChI

InChI=1S/C18H34O6S.Na/c1-2-3-4-10-13-16(19)14-11-8-6-5-7-9-12-15-17(18(20)21)25(22,23)24;/h8,11,16-17,19H,2-7,9-10,12-15H2,1H3,(H,20,21)(H,22,23,24);/q;+1/p-1/b11-8-;/t16-,17?;/m1./s1


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