1,4-bis[2-(octadecanoylamino)ethoxy]-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: 1,4-bis[2-(octadecanoylamino)ethoxy]-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: 1,4-bis[2-(octadecanoylamino)ethoxy]-1,4-dioxo-butane-2-sulfonic acid CAS Name: 1,4-dioxo-1,4-bis[2-(1-oxooctadecylamino)ethoxy]-2-butanesulfonic acid IUPAC Name: 1,4-bis[2-(octadecanoylamino)ethoxy]-1,4-dioxobutane-2-sulfonic acid Traditional Name: 1,4-diketo-1,4-bis(2-stearamidoethoxy)butane-2-sulfonic acid Formula: C44H84N2O9S MolecularWeight: 817.21076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCOC(=O)CC(C(=O)OCCNC(=O)CCCCCCCCCCCCCCCCC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCOC(=O)CC(C(=O)OCCNC(=O)CCCCCCCCCCCCCCCCC)S(=O)(=O)O

InChI

InChI=1S/C44H84N2O9S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-35-37-54-43(49)39-40(56(51,52)53)44(50)55-38-36-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h40H,3-39H2,1-2H3,(H,45,47)(H,46,48)(H,51,52,53)