2-[[(E)-octadec-9-enoyl]amino]-3-sulfo-propanoic acid

Systemtic Name: 2-[[(E)-octadec-9-enoyl]amino]-3-sulfo-propanoic acid Openeye Name: 2-[[(E)-octadec-9-enoyl]amino]-3-sulfo-propanoic acid CAS Name: 2-[[(E)-1-oxooctadec-9-enyl]amino]-3-sulfopropanoic acid IUPAC Name: 2-[[(E)-octadec-9-enoyl]amino]-3-sulfopropanoic acid Traditional Name: 2-[[(E)-octadec-9-enoyl]amino]-3-sulfo-propionic acid Formula: C21H39NO6S MolecularWeight: 433.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(CS(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(CS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C21H39NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19(21(24)25)18-29(26,27)28/h9-10,19H,2-8,11-18H2,1H3,(H,22,23)(H,24,25)(H,26,27,28)/b10-9+