disodium; 2-azanylethanol; 2-[[(E)-octadec-9-enoyl]amino]oxysulfonylbutanedioate

Systemtic Name: disodium; 2-azanylethanol; 2-[[(E)-octadec-9-enoyl]amino]oxysulfonylbutanedioate Openeye Name: disodium; 2-aminoethanol; 2-[[(E)-octadec-9-enoyl]amino]oxysulfonylbutanedioate CAS Name: disodium; 2-aminoethanol; 2-[[(E)-1-oxooctadec-9-enyl]amino]oxysulfonylbutanedioate IUPAC Name: disodium; 2-aminoethanol; 2-[[(E)-octadec-9-enoyl]amino]oxysulfonylbutanedioate Traditional Name: disodium; 2-aminoethanol; 2-[[(E)-octadec-9-enoyl]amino]oxysulfonylsuccinate Formula: C24H44N2Na2O9S MolecularWeight: 582.6587

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NOS(=O)(=O)C(CC(=O)[O-])C(=O)[O-].C(CO)N.[Na+].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NOS(=O)(=O)C(CC(=O)[O-])C(=O)[O-].C(CO)N.[Na+].[Na+]

InChI

InChI=1S/C22H39NO8S.C2H7NO.2Na/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;3-1-2-4;;/h9-10,19H,2-8,11-18H2,1H3,(H,23,24)(H,25,26)(H,27,28);4H,1-3H2;;/q;;2*+1/p-2/b10-9+;;;