2-methyl-1,1-bis[[(E)-octadec-9-enoyl]amino]heptane-2-sulfonic acid

Systemtic Name: 2-methyl-1,1-bis[[(E)-octadec-9-enoyl]amino]heptane-2-sulfonic acid Openeye Name: 2-methyl-1,1-bis[[(E)-octadec-9-enoyl]amino]heptane-2-sulfonic acid CAS Name: 2-methyl-1,1-bis[[(E)-1-oxooctadec-9-enyl]amino]-2-heptanesulfonic acid IUPAC Name: 2-methyl-1,1-bis[[(E)-octadec-9-enoyl]amino]heptane-2-sulfonic acid Traditional Name: 2-methyl-1,1-bis[[(E)-octadec-9-enoyl]amino]heptane-2-sulfonic acid Formula: C44H84N2O5S MolecularWeight: 753.21316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(C(C)(CCCCC)S(=O)(=O)O)NC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(NC(=O)CCCCCCC/C=C/CCCCCCCC)C(S(=O)(=O)O)(CCCCC)C

InChI

InChI=1S/C44H84N2O5S/c1-5-8-11-13-15-17-19-21-23-25-27-29-31-33-35-38-41(47)45-43(44(4,52(49,50)51)40-37-10-7-3)46-42(48)39-36-34-32-30-28-26-24-22-20-18-16-14-12-9-6-2/h21-24,43H,5-20,25-40H2,1-4H3,(H,45,47)(H,46,48)(H,49,50,51)/b23-21+,24-22+