3-[bis(3-sulfophenyl)phosphanylmethyl]-4-[2-[bis(3-sulfophenyl)phosphanylmethyl]-4,7-disulfo-naphthalen-1-yl]naphthalene-1,6-disulfonic acid

Systemtic Name: 3-[bis(3-sulfophenyl)phosphanylmethyl]-4-[2-[bis(3-sulfophenyl)phosphanylmethyl]-4,7-disulfo-naphthalen-1-yl]naphthalene-1,6-disulfonic acid Openeye Name: 3-[bis(3-sulfophenyl)phosphanylmethyl]-4-[2-[bis(3-sulfophenyl)phosphanylmethyl]-4,7-disulfo-1-naphthyl]naphthalene-1,6-disulfonic acid CAS Name: 3-[bis(3-sulfophenyl)phosphinomethyl]-4-[2-[bis(3-sulfophenyl)phosphinomethyl]-4,7-disulfo-1-naphthalenyl]naphthalene-1,6-disulfonic acid IUPAC Name: 3-[bis(3-sulfophenyl)phosphanylmethyl]-4-[2-[bis(3-sulfophenyl)phosphanylmethyl]-4,7-disulfonaphthalen-1-yl]naphthalene-1,6-disulfonic acid Traditional Name: 3-[bis(3-sulfophenyl)phosphinomethyl]-4-[2-[bis(3-sulfophenyl)phosphinomethyl]-4,7-disulfo-1-naphthyl]naphthalene-1,6-disulfonic acid Formula: C46H36O24P2S8 MolecularWeight: 1291.231162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)P(CC2=CC(=C3C=CC(=CC3=C2C4=C5C=C(C=CC5=C(C=C4CP(C6=CC(=CC=C6)S(=O)(=O)O)C7=CC(=CC=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C8=CC(=CC=C8)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)P(CC2=CC(=C3C=CC(=CC3=C2C4=C5C=C(C=CC5=C(C=C4CP(C6=CC(=CC=C6)S(=O)(=O)O)C7=CC(=CC=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C8=CC(=CC=C8)S(=O)(=O)O

InChI

InChI=1S/C46H36O24P2S8/c47-73(48,49)33-9-1-5-29(19-33)71(30-6-2-10-34(20-30)74(50,51)52)25-27-17-43(79(65,66)67)39-15-13-37(77(59,60)61)23-41(39)45(27)46-28(18-44(80(68,69)70)40-16-14-38(24-42(40)46)78(62,63)64)26-72(31-7-3-11-35(21-31)75(53,54)55)32-8-4-12-36(22-32)76(56,57)58/h1-24H,25-26H2,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)