(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid

Systemtic Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid Openeye Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid CAS Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-nitrophenyl)thio]-2-propenoic acid IUPAC Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-nitrophenyl)sulfanylprop-2-enoic acid Traditional Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-nitrophenyl)thio]acrylic acid Formula: C17H13NO6S MolecularWeight: 359.35322

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C=C(C(=O)O)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)/C=C(\C(=O)O)/SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO6S/c19-17(20)16(25-13-4-2-12(3-5-13)18(21)22)10-11-1-6-14-15(9-11)24-8-7-23-14/h1-6,9-10H,7-8H2,(H,19,20)/b16-10+