4-azanyl-1-[(E)-octadec-1-enoxy]-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: 4-azanyl-1-[(E)-octadec-1-enoxy]-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: 4-amino-1-[(E)-octadec-1-enoxy]-1,4-dioxo-butane-2-sulfonic acid CAS Name: 4-amino-1-[(E)-octadec-1-enoxy]-1,4-dioxo-2-butanesulfonic acid IUPAC Name: 4-amino-1-[(E)-octadec-1-enoxy]-1,4-dioxobutane-2-sulfonic acid Traditional Name: 4-amino-1,4-diketo-1-[(E)-octadec-1-enoxy]butane-2-sulfonic acid Formula: C22H41NO6S MolecularWeight: 447.62904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=COC(=O)C(CC(=O)N)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/OC(=O)C(CC(=O)N)S(=O)(=O)O

InChI

InChI=1S/C22H41NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(25)20(19-21(23)24)30(26,27)28/h17-18,20H,2-16,19H2,1H3,(H2,23,24)(H,26,27,28)/b18-17+