disodium; 2-azanylethanol; 2-(16-methylheptadecanoylamino)oxysulfonylbutanedioate

Systemtic Name: disodium; 2-azanylethanol; 2-(16-methylheptadecanoylamino)oxysulfonylbutanedioate Openeye Name: disodium; 2-aminoethanol; 2-(16-methylheptadecanoylamino)oxysulfonylbutanedioate CAS Name: disodium; 2-aminoethanol; 2-[(16-methyl-1-oxoheptadecyl)amino]oxysulfonylbutanedioate IUPAC Name: disodium; 2-aminoethanol; 2-(16-methylheptadecanoylamino)oxysulfonylbutanedioate Traditional Name: disodium; 2-aminoethanol; 2-(16-methylheptadecanoylamino)oxysulfonylsuccinate Formula: C24H46N2Na2O9S MolecularWeight: 584.67458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H41NO8S.C2H7NO.2Na/c1-18(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-20(24)23-31-32(29,30)19(22(27)28)17-21(25)26;3-1-2-4;;/h18-19H,3-17H2,1-2H3,(H,23,24)(H,25,26)(H,27,28);4H,1-3H2;;/q;;2*+1/p-2