[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium

Systemtic Name: [(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: [(3S)-1,1-dioxothiolan-3-yl]-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: [(3S)-1,1-dioxo-3-thiolanyl]-[(4-hydroxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: [(3S)-1,1-dioxothiolan-3-yl]-[(4-hydroxy-3-methoxyphenyl)methyl]azanium Traditional Name: [(3S)-1,1-diketothiolan-3-yl]-vanillyl-ammonium Formula: C12H18NO4S+ MolecularWeight: 272.34062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2CCS(=O)(=O)C2)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+][C@H]2CCS(=O)(=O)C2)O

InChI

InChI=1S/C12H17NO4S/c1-17-12-6-9(2-3-11(12)14)7-13-10-4-5-18(15,16)8-10/h2-3,6,10,13-14H,4-5,7-8H2,1H3/p+1/t10-/m0/s1