[2-(2,10-disulfooxyundecyl)-30-oxidanylidene-14-sulfooxy-1-oxacyclotriacont-16-yl] hydrogen sulfate

Systemtic Name: [2-(2,10-disulfooxyundecyl)-30-oxidanylidene-14-sulfooxy-1-oxacyclotriacont-16-yl] hydrogen sulfate Openeye Name: [2-(2,10-disulfooxyundecyl)-30-oxo-14-sulfooxy-oxacyclotriacont-16-yl] hydrogen sulfate CAS Name: sulfuric acid [2-(2,10-disulfooxyundecyl)-30-oxo-14-sulfooxy-oxacyclotriacont-16-yl] ester IUPAC Name: [2-(2,10-disulfooxyundecyl)-30-oxo-14-sulfooxy-oxacyclotriacont-16-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-(2,10-disulfoxyundecyl)-30-keto-14-sulfoxy-oxacyclotriacont-16-yl] ester Formula: C40H78O18S4 MolecularWeight: 975.29652

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCC(CC1CCCCCCCCCCCC(CC(CCCCCCCCCCCCCC(=O)O1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CC(CCCCCCCC(CC1CCCCCCCCCCCC(CC(CCCCCCCCCCCCCC(=O)O1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C40H78O18S4/c1-35(55-59(42,43)44)27-21-15-14-19-25-29-37(56-60(45,46)47)33-36-28-22-16-10-7-5-8-12-18-24-31-39(58-62(51,52)53)34-38(57-61(48,49)50)30-23-17-11-6-3-2-4-9-13-20-26-32-40(41)54-36/h35-39H,2-34H2,1H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)