3-(4-methoxyphenyl)sulfanyl-5-nitro-phthalic acid

Systemtic Name: 3-(4-methoxyphenyl)sulfanyl-5-nitro-phthalic acid Openeye Name: 3-(4-methoxyphenyl)sulfanyl-5-nitro-phthalic acid CAS Name: 3-[(4-methoxyphenyl)thio]-5-nitrophthalic acid IUPAC Name: 3-(4-methoxyphenyl)sulfanyl-5-nitrophthalic acid Traditional Name: 3-[(4-methoxyphenyl)thio]-5-nitro-phthalic acid Formula: C15H11NO7S MolecularWeight: 349.31534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=C(C(=CC(=C2)[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)SC2=C(C(=CC(=C2)[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C15H11NO7S/c1-23-9-2-4-10(5-3-9)24-12-7-8(16(21)22)6-11(14(17)18)13(12)15(19)20/h2-7H,1H3,(H,17,18)(H,19,20)