4-nonylpyridine; 1-[(E)-octadec-9-enoyl]oxyethanesulfonic acid

Systemtic Name: 4-nonylpyridine; 1-[(E)-octadec-9-enoyl]oxyethanesulfonic acid Openeye Name: 4-nonylpyridine; 1-[(E)-octadec-9-enoyl]oxyethanesulfonic acid CAS Name: 4-nonylpyridine; 1-[(E)-1-oxooctadec-9-enoxy]ethanesulfonic acid IUPAC Name: 4-nonylpyridine; 1-[(E)-octadec-9-enoyl]oxyethanesulfonic acid Traditional Name: 4-nonylpyridine; 1-[(E)-octadec-9-enoyl]oxyethanesulfonic acid Formula: C34H61NO5S MolecularWeight: 595.91684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=NC=C1.CCCCCCCCC=CCCCCCCCC(=O)OC(C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=NC=C1.CCCCCCCC/C=C/CCCCCCCC(=O)OC(C)S(=O)(=O)O

InChI

InChI=1S/C20H38O5S.C14H23N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(21)25-19(2)26(22,23)24;1-2-3-4-5-6-7-8-9-14-10-12-15-13-11-14/h10-11,19H,3-9,12-18H2,1-2H3,(H,22,23,24);10-13H,2-9H2,1H3/b11-10+;