[(E)-1-(30-oxidanylidene-14,16-disulfooxy-1-oxacyclotriacont-28-en-2-yl)undec-9-en-2-yl] hydrogen sulfate

Systemtic Name: [(E)-1-(30-oxidanylidene-14,16-disulfooxy-1-oxacyclotriacont-28-en-2-yl)undec-9-en-2-yl] hydrogen sulfate Openeye Name: [(E)-1-[(30-oxo-14,16-disulfooxy-1-oxacyclotriacont-28-en-2-yl)methyl]dec-8-enyl] hydrogen sulfate CAS Name: sulfuric acid [(E)-1-(30-oxo-14,16-disulfooxy-1-oxacyclotriacont-28-en-2-yl)undec-9-en-2-yl] ester IUPAC Name: [(E)-1-(30-oxo-14,16-disulfooxy-1-oxacyclotriacont-28-en-2-yl)undec-9-en-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [(E)-1-[(30-keto-14,16-disulfoxy-1-oxacyclotriacont-28-en-2-yl)methyl]dec-8-enyl] ester Formula: C40H74O14S3 MolecularWeight: 875.20216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/CCCCCCC(CC1CCCCCCCCCCCC(CC(CCCCCCCCCCCC=CC(=O)O1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C40H74O14S3/c1-2-3-4-5-14-20-25-30-37(52-55(42,43)44)34-36-29-24-19-15-11-9-12-17-22-27-32-39(54-57(48,49)50)35-38(53-56(45,46)47)31-26-21-16-10-7-6-8-13-18-23-28-33-40(41)51-36/h2-3,28,33,36-39H,4-27,29-32,34-35H2,1H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)/b3-2+,33-28?