2-[(E)-2-(4-nitro-2-sulfo-phenyl)ethenyl]-5-(phenylmethoxycarbonylamino)benzenesulfonic acid

Systemtic Name: 2-[(E)-2-(4-nitro-2-sulfo-phenyl)ethenyl]-5-(phenylmethoxycarbonylamino)benzenesulfonic acid Openeye Name: 5-(benzyloxycarbonylamino)-2-[(E)-2-(4-nitro-2-sulfo-phenyl)vinyl]benzenesulfonic acid CAS Name: 2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]-5-(phenylmethoxycarbonylamino)benzenesulfonic acid IUPAC Name: 2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]-5-(phenylmethoxycarbonylamino)benzenesulfonic acid Traditional Name: 5-(benzyloxycarbonylamino)-2-[(E)-2-(4-nitro-2-sulfo-phenyl)vinyl]besylic acid Formula: C22H18N2O10S2 MolecularWeight: 534.51572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H18N2O10S2/c25-22(34-14-15-4-2-1-3-5-15)23-18-10-8-16(20(12-18)35(28,29)30)6-7-17-9-11-19(24(26)27)13-21(17)36(31,32)33/h1-13H,14H2,(H,23,25)(H,28,29,30)(H,31,32,33)/b7-6+