2-[[(E)-octadec-9-enoyl]amino]oxysulfonylbutanedioic acid

Systemtic Name: 2-[[(E)-octadec-9-enoyl]amino]oxysulfonylbutanedioic acid Openeye Name: 2-[[(E)-octadec-9-enoyl]amino]oxysulfonylbutanedioic acid CAS Name: 2-[[(E)-1-oxooctadec-9-enyl]amino]oxysulfonylbutanedioic acid IUPAC Name: 2-[[(E)-octadec-9-enoyl]amino]oxysulfonylbutanedioic acid Traditional Name: 2-[[(E)-octadec-9-enoyl]amino]oxysulfonylsuccinic acid Formula: C22H39NO8S MolecularWeight: 477.61196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NOS(=O)(=O)C(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NOS(=O)(=O)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C22H39NO8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)23-31-32(29,30)19(22(27)28)18-21(25)26/h9-10,19H,2-8,11-18H2,1H3,(H,23,24)(H,25,26)(H,27,28)/b10-9+