2-[[(5-chloranyl-2-methyl-phenyl)amino]-(ethylamino)amino]-5-sulfo-benzoic acid

Systemtic Name: 2-[[(5-chloranyl-2-methyl-phenyl)amino]-(ethylamino)amino]-5-sulfo-benzoic acid Openeye Name: 2-[(5-chloro-2-methyl-anilino)-(ethylamino)amino]-5-sulfo-benzoic acid CAS Name: 2-[(5-chloro-2-methylanilino)-(ethylamino)amino]-5-sulfobenzoic acid IUPAC Name: 2-[(5-chloro-2-methylanilino)-(ethylamino)amino]-5-sulfobenzoic acid Traditional Name: 2-[(5-chloro-2-methyl-anilino)-(ethylamino)amino]-5-sulfo-benzoic acid Formula: C16H18ClN3O5S MolecularWeight: 399.84922

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Descriptors Computed from Structure

Canonical SMILES:

CCNN(C1=C(C=C(C=C1)S(=O)(=O)O)C(=O)O)NC2=C(C=CC(=C2)Cl)C

Isomeric SMILES

CCNN(C1=C(C=C(C=C1)S(=O)(=O)O)C(=O)O)NC2=C(C=CC(=C2)Cl)C

InChI

InChI=1S/C16H18ClN3O5S/c1-3-18-20(19-14-8-11(17)5-4-10(14)2)15-7-6-12(26(23,24)25)9-13(15)16(21)22/h4-9,18-19H,3H2,1-2H3,(H,21,22)(H,23,24,25)