4-azanyl-1-hexadecoxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: 4-azanyl-1-hexadecoxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: 4-amino-1-hexadecoxy-1,4-dioxo-butane-2-sulfonic acid CAS Name: 4-amino-1-hexadecoxy-1,4-dioxo-2-butanesulfonic acid IUPAC Name: 4-amino-1-hexadecoxy-1,4-dioxobutane-2-sulfonic acid Traditional Name: 4-amino-1-cetyloxy-1,4-diketo-butane-2-sulfonic acid Formula: C20H39NO6S MolecularWeight: 421.59176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)N)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)N)S(=O)(=O)O

InChI

InChI=1S/C20H39NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-20(23)18(17-19(21)22)28(24,25)26/h18H,2-17H2,1H3,(H2,21,22)(H,24,25,26)