(6-iodanyl-1,3-dimethyl-azulen-2-yl) methanesulfonate

Systemtic Name: (6-iodanyl-1,3-dimethyl-azulen-2-yl) methanesulfonate Openeye Name: (6-iodo-1,3-dimethyl-azulen-2-yl) methanesulfonate CAS Name: methanesulfonic acid (6-iodo-1,3-dimethyl-2-azulenyl) ester IUPAC Name: (6-iodo-1,3-dimethylazulen-2-yl) methanesulfonate Traditional Name: methanesulfonic acid (6-iodo-1,3-dimethyl-azulen-2-yl) ester Formula: C13H13IO3S MolecularWeight: 376.20999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=CC=C2C(=C1OS(=O)(=O)C)C)I

Isomeric SMILES

CC1=C2C=CC(=CC=C2C(=C1OS(=O)(=O)C)C)I

InChI

InChI=1S/C13H13IO3S/c1-8-11-6-4-10(14)5-7-12(11)9(2)13(8)17-18(3,15)16/h4-7H,1-3H3