lithium (3R,6S,7S)-6-butyl-3-methyl-1,1-bis(oxidanylidene)-3,4,5,6,7,8-hexahydro-2,1$l^{6}-benzoxathiin-5-id-7-ol

Systemtic Name: lithium (3R,6S,7S)-6-butyl-3-methyl-1,1-bis(oxidanylidene)-3,4,5,6,7,8-hexahydro-2,1$l^{6}-benzoxathiin-5-id-7-ol Openeye Name: lithium (3R,6S,7S)-6-butyl-3-methyl-1,1-dioxo-3,4,5,6,7,8-hexahydro-2,1$l^{6}-benzoxathiin-5-id-7-ol CAS Name: lithium (3R,6S,7S)-6-butyl-3-methyl-1,1-dioxo-3,4,5,6,7,8-hexahydro-2,1$l^{6}-benzoxathiin-5-id-7-ol IUPAC Name: lithium (3R,6S,7S)-6-butyl-3-methyl-1,1-dioxo-3,4,5,6,7,8-hexahydro-2,1$l^{6}-benzoxathiin-5-id-7-ol Traditional Name: lithium (3R,6S,7S)-6-butyl-1,1-diketo-3-methyl-3,4,5,6,7,8-hexahydro-2,1$l^{6}-benzoxathiin-5-id-7-ol Formula: C13H21LiO4S MolecularWeight: 280.30944

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CCCCC1[CH-]C2=C(CC1O)S(=O)(=O)OC(C2)C

Isomeric SMILES

[Li+].CCCC[C@@H]1[CH-]C2=C(C[C@@H]1O)S(=O)(=O)O[C@@H](C2)C

InChI

InChI=1S/C13H21O4S.Li/c1-3-4-5-10-7-11-6-9(2)17-18(15,16)13(11)8-12(10)14;/h7,9-10,12,14H,3-6,8H2,1-2H3;/q-1;+1/t9-,10-,12+;/m1./s1