O4-icosyl O1-sulfo 2-icosylbutanedioate

Systemtic Name: O4-icosyl O1-sulfo 2-icosylbutanedioate Openeye Name: O4-icosyl O1-sulfo 2-icosylbutanedioate CAS Name: 2-eicosylbutanedioic acid O4-eicosyl ester O1-sulfo ester IUPAC Name: 4-O-icosyl 1-O-sulfo 2-icosylbutanedioate Traditional Name: 2-arachylsuccinic acid O4-arachyl ester O1-sulfo ester Formula: C44H86O7S MolecularWeight: 759.21444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(CC(=O)OCCCCCCCCCCCCCCCCCCCC)C(=O)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(CC(=O)OCCCCCCCCCCCCCCCCCCCC)C(=O)OS(=O)(=O)O

InChI

InChI=1S/C44H86O7S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42(44(46)51-52(47,48)49)41-43(45)50-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42H,3-41H2,1-2H3,(H,47,48,49)