5-azanyl-2-[(E)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[(E)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 5-amino-2-[(E)-2-[4-(tert-butoxycarbonylamino)-2-sulfo-phenyl]vinyl]benzenesulfonic acid CAS Name: 5-amino-2-[(E)-2-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 5-amino-2-[(E)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-sulfophenyl]ethenyl]benzenesulfonic acid Traditional Name: 5-amino-2-[(E)-2-[4-(tert-butoxycarbonylamino)-2-sulfo-phenyl]vinyl]besylic acid Formula: C19H22N2O8S2 MolecularWeight: 470.51658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC(=C(C=C1)/C=C/C2=C(C=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C19H22N2O8S2/c1-19(2,3)29-18(22)21-15-9-7-13(17(11-15)31(26,27)28)5-4-12-6-8-14(20)10-16(12)30(23,24)25/h4-11H,20H2,1-3H3,(H,21,22)(H,23,24,25)(H,26,27,28)/b5-4+