(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumylmethanesulfonate

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumylmethanesulfonate Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammoniomethanesulfonate CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammoniomethanesulfonate IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumylmethanesulfonate Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammoniomethanesulfonate Formula: C11H15NO5S MolecularWeight: 273.3055

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]CS(=O)(=O)[O-])CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]CS(=O)(=O)[O-])CC2OC(=C1)O

InChI

InChI=1S/C11H15NO5S/c1-7-4-11(13)17-10-5-8(2-3-9(7)10)12-6-18(14,15)16/h4,10,13H,2-3,5-6H2,1H3,(H,14,15,16)