8-methyl-2,3,4,6-tetrahydro-1,5-benzodithiocine-7-sulfonic acid

Systemtic Name: 8-methyl-2,3,4,6-tetrahydro-1,5-benzodithiocine-7-sulfonic acid Openeye Name: 8-methyl-2,3,4,6-tetrahydro-1,5-benzodithiocine-7-sulfonic acid CAS Name: 8-methyl-2,3,4,6-tetrahydro-1,5-benzodithiocin-7-sulfonic acid IUPAC Name: 8-methyl-2,3,4,6-tetrahydro-1,5-benzodithiocine-7-sulfonic acid Traditional Name: 8-methyl-2,3,4,6-tetrahydro-1,5-benzodithiocin-7-sulfonic acid Formula: C11H14O3S3 MolecularWeight: 290.42206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SCCCSC2)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)SCCCSC2)S(=O)(=O)O

InChI

InChI=1S/C11H14O3S3/c1-8-3-4-10-9(11(8)17(12,13)14)7-15-5-2-6-16-10/h3-4H,2,5-7H2,1H3,(H,12,13,14)