4-azanyl-1-[[(E)-octadec-9-enyl]amino]-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: 4-azanyl-1-[[(E)-octadec-9-enyl]amino]-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: 4-amino-1-[[(E)-octadec-9-enyl]amino]-1,4-dioxo-butane-2-sulfonic acid CAS Name: 4-amino-1-[[(E)-octadec-9-enyl]amino]-1,4-dioxo-2-butanesulfonic acid IUPAC Name: 4-amino-1-[[(E)-octadec-9-enyl]amino]-1,4-dioxobutane-2-sulfonic acid Traditional Name: 4-amino-1,4-diketo-1-[[(E)-octadec-9-enyl]amino]butane-2-sulfonic acid Formula: C22H42N2O5S MolecularWeight: 446.64428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNC(=O)C(CC(=O)N)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCNC(=O)C(CC(=O)N)S(=O)(=O)O

InChI

InChI=1S/C22H42N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-22(26)20(19-21(23)25)30(27,28)29/h9-10,20H,2-8,11-19H2,1H3,(H2,23,25)(H,24,26)(H,27,28,29)/b10-9+