5-azanyl-2-[(E)-2-(4-chloranyl-2-sulfo-phenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[(E)-2-(4-chloranyl-2-sulfo-phenyl)ethenyl]benzenesulfonic acid Openeye Name: 5-amino-2-[(E)-2-(4-chloro-2-sulfo-phenyl)vinyl]benzenesulfonic acid CAS Name: 5-amino-2-[(E)-2-(4-chloro-2-sulfophenyl)ethenyl]benzenesulfonic acid IUPAC Name: 5-amino-2-[(E)-2-(4-chloro-2-sulfophenyl)ethenyl]benzenesulfonic acid Traditional Name: 5-amino-2-[(E)-2-(4-chloro-2-sulfo-phenyl)vinyl]besylic acid Formula: C14H12ClNO6S2 MolecularWeight: 389.83118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)Cl)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)/C=C/C2=C(C=C(C=C2)Cl)S(=O)(=O)O

InChI

InChI=1S/C14H12ClNO6S2/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h1-8H,16H2,(H,17,18,19)(H,20,21,22)/b2-1+