3,4,5,6-tetrakis[(4-nitrophenyl)sulfanyl]phthalic acid

Systemtic Name: 3,4,5,6-tetrakis[(4-nitrophenyl)sulfanyl]phthalic acid Openeye Name: 3,4,5,6-tetrakis[(4-nitrophenyl)sulfanyl]phthalic acid CAS Name: 3,4,5,6-tetrakis[(4-nitrophenyl)thio]phthalic acid IUPAC Name: 3,4,5,6-tetrakis[(4-nitrophenyl)sulfanyl]phthalic acid Traditional Name: 3,4,5,6-tetrakis[(4-nitrophenyl)thio]phthalic acid Formula: C32H18N4O12S4 MolecularWeight: 778.76492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SC2=C(C(=C(C(=C2C(=O)O)C(=O)O)SC3=CC=C(C=C3)[N+](=O)[O-])SC4=CC=C(C=C4)[N+](=O)[O-])SC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SC2=C(C(=C(C(=C2C(=O)O)C(=O)O)SC3=CC=C(C=C3)[N+](=O)[O-])SC4=CC=C(C=C4)[N+](=O)[O-])SC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C32H18N4O12S4/c37-31(38)25-26(32(39)40)28(50-22-11-3-18(4-12-22)34(43)44)30(52-24-15-7-20(8-16-24)36(47)48)29(51-23-13-5-19(6-14-23)35(45)46)27(25)49-21-9-1-17(2-10-21)33(41)42/h1-16H,(H,37,38)(H,39,40)