3-(2-carboxyphenyl)sulfanyl-5-nitro-phthalic acid

Systemtic Name: 3-(2-carboxyphenyl)sulfanyl-5-nitro-phthalic acid Openeye Name: 3-(2-carboxyphenyl)sulfanyl-5-nitro-phthalic acid CAS Name: 3-[(2-carboxyphenyl)thio]-5-nitrophthalic acid IUPAC Name: 3-(2-carboxyphenyl)sulfanyl-5-nitrophthalic acid Traditional Name: 3-[(2-carboxyphenyl)thio]-5-nitro-phthalic acid Formula: C15H9NO8S MolecularWeight: 363.29886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9NO8S/c17-13(18)8-3-1-2-4-10(8)25-11-6-7(16(23)24)5-9(14(19)20)12(11)15(21)22/h1-6H,(H,17,18)(H,19,20)(H,21,22)