3-azanyl-6-(2-methoxyphenyl)-4-sulfanyl-hexane-1-sulfonic acid

Systemtic Name: 3-azanyl-6-(2-methoxyphenyl)-4-sulfanyl-hexane-1-sulfonic acid Openeye Name: 3-amino-6-(2-methoxyphenyl)-4-sulfanyl-hexane-1-sulfonic acid CAS Name: 3-amino-4-mercapto-6-(2-methoxyphenyl)-1-hexanesulfonic acid IUPAC Name: 3-amino-6-(2-methoxyphenyl)-4-sulfanylhexane-1-sulfonic acid Traditional Name: 3-amino-4-mercapto-6-(2-methoxyphenyl)hexane-1-sulfonic acid Formula: C13H21NO4S2 MolecularWeight: 319.44014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(C(CCS(=O)(=O)O)N)S

Isomeric SMILES

COC1=CC=CC=C1CCC(C(CCS(=O)(=O)O)N)S

InChI

InChI=1S/C13H21NO4S2/c1-18-12-5-3-2-4-10(12)6-7-13(19)11(14)8-9-20(15,16)17/h2-5,11,13,19H,6-9,14H2,1H3,(H,15,16,17)