7-[4-[4-(6,8-disulfonaphthalen-2-yl)oxysulfonylphenyl]phenyl]sulfonyloxynaphthalene-1,3-disulfonic acid

Systemtic Name: 7-[4-[4-(6,8-disulfonaphthalen-2-yl)oxysulfonylphenyl]phenyl]sulfonyloxynaphthalene-1,3-disulfonic acid Openeye Name: 7-[4-[4-[(6,8-disulfo-2-naphthyl)oxysulfonyl]phenyl]phenyl]sulfonyloxynaphthalene-1,3-disulfonic acid CAS Name: 7-[4-[4-[(6,8-disulfo-2-naphthalenyl)oxysulfonyl]phenyl]phenyl]sulfonyloxynaphthalene-1,3-disulfonic acid IUPAC Name: 7-[4-[4-(6,8-disulfonaphthalen-2-yl)oxysulfonylphenyl]phenyl]sulfonyloxynaphthalene-1,3-disulfonic acid Traditional Name: 7-[4-[4-(6,8-disulfo-2-naphthoxy)sulfonylphenyl]phenyl]sulfonyloxynaphthalene-1,3-disulfonic acid Formula: C32H22O18S6 MolecularWeight: 886.89628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)OC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)OC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C32H22O18S6/c33-51(34,35)27-13-21-1-7-23(15-29(21)31(17-27)53(39,40)41)49-55(45,46)25-9-3-19(4-10-25)20-5-11-26(12-6-20)56(47,48)50-24-8-2-22-14-28(52(36,37)38)18-32(30(22)16-24)54(42,43)44/h1-18H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)