(4-carbamimidoylphenyl) (E)-2-methyl-3-(5-nitro-2-oxidanyl-phenyl)prop-2-enoate; 4-methylbenzenesulfonic acid

Systemtic Name: (4-carbamimidoylphenyl) (E)-2-methyl-3-(5-nitro-2-oxidanyl-phenyl)prop-2-enoate; 4-methylbenzenesulfonic acid Openeye Name: (4-carbamimidoylphenyl) (E)-3-(2-hydroxy-5-nitro-phenyl)-2-methyl-prop-2-enoate; 4-methylbenzenesulfonic acid CAS Name: (E)-3-(2-hydroxy-5-nitrophenyl)-2-methyl-2-propenoic acid (4-carbamimidoylphenyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: (4-carbamimidoylphenyl) (E)-3-(2-hydroxy-5-nitrophenyl)-2-methylprop-2-enoate; 4-methylbenzenesulfonic acid Traditional Name: (E)-3-(2-hydroxy-5-nitro-phenyl)-2-methyl-acrylic acid (4-amidinophenyl) ester; tosylic acid Formula: C24H23N3O8S MolecularWeight: 513.51972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=CC1=C(C=CC(=C1)[N+](=O)[O-])O)C(=O)OC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C/C(=C\C1=C(C=CC(=C1)[N+](=O)[O-])O)/C(=O)OC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H15N3O5.C7H8O3S/c1-10(8-12-9-13(20(23)24)4-7-15(12)21)17(22)25-14-5-2-11(3-6-14)16(18)19;1-6-2-4-7(5-3-6)11(8,9)10/h2-9,21H,1H3,(H3,18,19);2-5H,1H3,(H,8,9,10)/b10-8+;