4-[3-phosphanyl-2-(2,3,4-trisulfophenyl)phenyl]benzene-1,2,3-trisulfonic acid

Systemtic Name: 4-[3-phosphanyl-2-(2,3,4-trisulfophenyl)phenyl]benzene-1,2,3-trisulfonic acid Openeye Name: 4-[3-phosphanyl-2-(2,3,4-trisulfophenyl)phenyl]benzene-1,2,3-trisulfonic acid CAS Name: 4-[3-phosphino-2-(2,3,4-trisulfophenyl)phenyl]benzene-1,2,3-trisulfonic acid IUPAC Name: 4-[3-phosphanyl-2-(2,3,4-trisulfophenyl)phenyl]benzene-1,2,3-trisulfonic acid Traditional Name: 4-[3-phosphino-2-(2,3,4-trisulfophenyl)phenyl]benzene-1,2,3-trisulfonic acid Formula: C18H15O18PS6 MolecularWeight: 742.664661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)P)C2=C(C(=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C3=C(C(=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)P)C2=C(C(=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C3=C(C(=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H15O18PS6/c19-38(20,21)12-6-4-9(15(40(25,26)27)17(12)42(31,32)33)8-2-1-3-11(37)14(8)10-5-7-13(39(22,23)24)18(43(34,35)36)16(10)41(28,29)30/h1-7H,37H2,(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)