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

Systemtic Name: 2-methyl-4-oxidanyl-5-propan-2-yl-benzenesulfonic acid; 2-[(E)-2-methylpentylideneamino]guanidine Openeye Name: 4-hydroxy-5-isopropyl-2-methyl-benzenesulfonic acid; 2-[(E)-2-methylpentylideneamino]guanidine CAS Name: 4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid; 2-[(E)-2-methylpentylideneamino]guanidine IUPAC Name: 4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid; 2-[(E)-2-methylpentylideneamino]guanidine Traditional Name: 4-hydroxy-5-isopropyl-2-methyl-besylic acid; 2-[(E)-2-methylpentylideneamino]guanidine Formula: C17H30N4O4S MolecularWeight: 386.5095

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O4S.C7H16N4/c1-6(2)8-5-10(15(12,13)14)7(3)4-9(8)11;1-3-4-6(2)5-10-11-7(8)9/h4-6,11H,1-3H3,(H,12,13,14);5-6H,3-4H2,1-2H3,(H4,8,9,11)/b;10-5+