2-[(E)-cyclohexen-1-ylmethylideneamino]guanidine; 2-methyl-4-oxidanyl-5-propan-2-yl-benzenesulfonic acid

Systemtic Name: 2-[(E)-cyclohexen-1-ylmethylideneamino]guanidine; 2-methyl-4-oxidanyl-5-propan-2-yl-benzenesulfonic acid Openeye Name: 2-[(E)-cyclohexen-1-ylmethyleneamino]guanidine; 4-hydroxy-5-isopropyl-2-methyl-benzenesulfonic acid CAS Name: 2-[(E)-1-cyclohexenylmethylideneamino]guanidine; 4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid IUPAC Name: 2-[(E)-cyclohexen-1-ylmethylideneamino]guanidine; 4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid Traditional Name: 2-[(E)-cyclohexen-1-ylmethyleneamino]guanidine; 4-hydroxy-5-isopropyl-2-methyl-besylic acid Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)O)C(C)C)O.C1CCC(=CC1)C=NN=C(N)N

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)O)C(C)C)O.C1CCC(=CC1)/C=N/N=C(N)N

InChI

InChI=1S/C10H14O4S.C8H14N4/c1-6(2)8-5-10(15(12,13)14)7(3)4-9(8)11;9-8(10)12-11-6-7-4-2-1-3-5-7/h4-6,11H,1-3H3,(H,12,13,14);4,6H,1-3,5H2,(H4,9,10,12)/b;11-6+