(E)-3-[4-(2-methoxyphenyl)sulfanyl-2-methyl-5-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(2-methoxyphenyl)sulfanyl-2-methyl-5-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(2-methoxyphenyl)sulfanyl-2-methyl-5-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[(2-methoxyphenyl)thio]-2-methyl-5-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(2-methoxyphenyl)sulfanyl-2-methyl-5-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(2-methoxyphenyl)thio]-2-methyl-5-nitro-phenyl]acrylic acid Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=CC(=O)O)[N+](=O)[O-])SC2=CC=CC=C2OC

Isomeric SMILES

CC1=CC(=C(C=C1/C=C/C(=O)O)[N+](=O)[O-])SC2=CC=CC=C2OC

InChI

InChI=1S/C17H15NO5S/c1-11-9-16(24-15-6-4-3-5-14(15)23-2)13(18(21)22)10-12(11)7-8-17(19)20/h3-10H,1-2H3,(H,19,20)/b8-7+