ethyl 3-carbamimidoylbenzoate; 4-methylbenzenesulfonic acid

Systemtic Name: ethyl 3-carbamimidoylbenzoate; 4-methylbenzenesulfonic acid Openeye Name: ethyl 3-carbamimidoylbenzoate; 4-methylbenzenesulfonic acid CAS Name: 3-carbamimidoylbenzoic acid ethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: ethyl 3-carbamimidoylbenzoate; 4-methylbenzenesulfonic acid Traditional Name: 3-amidinobenzoic acid ethyl ester; tosylic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C(=N)N.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C(=N)N.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C10H12N2O2.C7H8O3S/c1-2-14-10(13)8-5-3-4-7(6-8)9(11)12;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,2H2,1H3,(H3,11,12);2-5H,1H3,(H,8,9,10)