3-azanyl-4-[(2-azanyl-4-carboxylato-3-ethyl-phenyl)disulfanyl]-2-ethyl-benzoate

Systemtic Name: 3-azanyl-4-[(2-azanyl-4-carboxylato-3-ethyl-phenyl)disulfanyl]-2-ethyl-benzoate Openeye Name: 3-amino-4-[(2-amino-4-carboxylato-3-ethyl-phenyl)disulfanyl]-2-ethyl-benzoate CAS Name: 3-amino-4-[(2-amino-4-carboxylato-3-ethylphenyl)disulfanyl]-2-ethylbenzoate IUPAC Name: 3-amino-4-[(2-amino-4-carboxylato-3-ethylphenyl)disulfanyl]-2-ethylbenzoate Traditional Name: 3-amino-4-[(2-amino-4-carboxylato-3-ethyl-phenyl)disulfanyl]-2-ethyl-benzoate Formula: C18H18N2O4S2-2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1N)SSC2=C(C(=C(C=C2)C(=O)[O-])CC)N)C(=O)[O-]

Isomeric SMILES

CCC1=C(C=CC(=C1N)SSC2=C(C(=C(C=C2)C(=O)[O-])CC)N)C(=O)[O-]

InChI

InChI=1S/C18H20N2O4S2/c1-3-9-11(17(21)22)5-7-13(15(9)19)25-26-14-8-6-12(18(23)24)10(4-2)16(14)20/h5-8H,3-4,19-20H2,1-2H3,(H,21,22)(H,23,24)/p-2