ethyl 6-azanylhexanedithioate; 4-methylbenzenesulfonic acid

Systemtic Name: ethyl 6-azanylhexanedithioate; 4-methylbenzenesulfonic acid Openeye Name: ethyl 6-aminohexanedithioate; 4-methylbenzenesulfonic acid CAS Name: 6-aminohexanedithioic acid ethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: ethyl 6-aminohexanedithioate; 4-methylbenzenesulfonic acid Traditional Name: 6-aminohexanedithioic acid ethyl ester; tosylic acid Formula: C15H25NO3S3 MolecularWeight: 363.5589

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=S)CCCCCN.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCSC(=S)CCCCCN.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C8H17NS2.C7H8O3S/c1-2-11-8(10)6-4-3-5-7-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-7,9H2,1H3;2-5H,1H3,(H,8,9,10)