[4-(3-methylhexyl)-2-oxidanylidene-thiochromen-7-yl] sulfamate

Systemtic Name: [4-(3-methylhexyl)-2-oxidanylidene-thiochromen-7-yl] sulfamate Openeye Name: [4-(3-methylhexyl)-2-oxo-thiochromen-7-yl] sulfamate CAS Name: sulfamic acid [4-(3-methylhexyl)-2-oxo-1-benzothiopyran-7-yl] ester IUPAC Name: [4-(3-methylhexyl)-2-oxothiochromen-7-yl] sulfamate Traditional Name: sulfamic acid [2-keto-4-(3-methylhexyl)thiochromen-7-yl] ester Formula: C16H21NO4S2 MolecularWeight: 355.47224

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CCC1=CC(=O)SC2=C1C=CC(=C2)OS(=O)(=O)N

Isomeric SMILES

CCCC(C)CCC1=CC(=O)SC2=C1C=CC(=C2)OS(=O)(=O)N

InChI

InChI=1S/C16H21NO4S2/c1-3-4-11(2)5-6-12-9-16(18)22-15-10-13(7-8-14(12)15)21-23(17,19)20/h7-11H,3-6H2,1-2H3,(H2,17,19,20)