5-azanyl-2-[3-(4-azanyl-2-sulfo-phenyl)oxiran-2-yl]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[3-(4-azanyl-2-sulfo-phenyl)oxiran-2-yl]benzenesulfonic acid Openeye Name: 5-amino-2-[3-(4-amino-2-sulfo-phenyl)oxiran-2-yl]benzenesulfonic acid CAS Name: 5-amino-2-[3-(4-amino-2-sulfophenyl)-2-oxiranyl]benzenesulfonic acid IUPAC Name: 5-amino-2-[3-(4-amino-2-sulfophenyl)oxiran-2-yl]benzenesulfonic acid Traditional Name: 5-amino-2-[3-(4-amino-2-sulfo-phenyl)oxiran-2-yl]besylic acid Formula: C14H14N2O7S2 MolecularWeight: 386.40016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)C2C(O2)C3=C(C=C(C=C3)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)C2C(O2)C3=C(C=C(C=C3)N)S(=O)(=O)O

InChI

InChI=1S/C14H14N2O7S2/c15-7-1-3-9(11(5-7)24(17,18)19)13-14(23-13)10-4-2-8(16)6-12(10)25(20,21)22/h1-6,13-14H,15-16H2,(H,17,18,19)(H,20,21,22)