2-azanylbenzenethiol; 2-methyl-4-oxidanyl-5-propan-2-yl-benzenesulfonic acid; sodium

Systemtic Name: 2-azanylbenzenethiol; 2-methyl-4-oxidanyl-5-propan-2-yl-benzenesulfonic acid; sodium Openeye Name: 2-aminobenzenethiol; 4-hydroxy-5-isopropyl-2-methyl-benzenesulfonic acid; sodium CAS Name: 2-aminobenzenethiol; 4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid; sodium IUPAC Name: 2-aminobenzenethiol; 4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid; sodium Traditional Name: 2-aminobenzenethiol; 4-hydroxy-5-isopropyl-2-methyl-besylic acid; sodium Formula: C16H21NNaO4S2 MolecularWeight: 378.46201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)O)C(C)C)O.C1=CC=C(C(=C1)N)S.[Na]

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)O)C(C)C)O.C1=CC=C(C(=C1)N)S.[Na]

InChI

InChI=1S/C10H14O4S.C6H7NS.Na/c1-6(2)8-5-10(15(12,13)14)7(3)4-9(8)11;7-5-3-1-2-4-6(5)8;/h4-6,11H,1-3H3,(H,12,13,14);1-4,8H,7H2;