[12-(2,10-disulfooxyundecyl)-30-oxidanylidene-16-sulfooxy-1-oxacyclotriacont-14-yl] hydrogen sulfate

Systemtic Name: [12-(2,10-disulfooxyundecyl)-30-oxidanylidene-16-sulfooxy-1-oxacyclotriacont-14-yl] hydrogen sulfate Openeye Name: [12-(2,10-disulfooxyundecyl)-30-oxo-16-sulfooxy-oxacyclotriacont-14-yl] hydrogen sulfate CAS Name: sulfuric acid [12-(2,10-disulfooxyundecyl)-30-oxo-16-sulfooxy-oxacyclotriacont-14-yl] ester IUPAC Name: [12-(2,10-disulfooxyundecyl)-30-oxo-16-sulfooxy-oxacyclotriacont-14-yl] hydrogen sulfate Traditional Name: sulfuric acid [12-(2,10-disulfoxyundecyl)-30-keto-16-sulfoxy-oxacyclotriacont-14-yl] ester Formula: C40H78O18S4 MolecularWeight: 975.29652

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCC(CC1CCCCCCCCCCOC(=O)CCCCCCCCCCCCCC(CC(C1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CC(CCCCCCCC(CC1CCCCCCCCCCOC(=O)CCCCCCCCCCCCCC(CC(C1)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)26-20-14-13-17-22-28-37(56-60(45,46)47)32-36-27-21-15-9-7-8-12-19-25-31-54-40(41)30-24-18-11-6-4-2-3-5-10-16-23-29-38(57-61(48,49)50)34-39(33-36)58-62(51,52)53/h35-39H,2-34H2,1H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)