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

Systemtic Name: 3-[4-[4-(3,6-disulfonaphthalen-2-yl)oxysulfonylphenyl]phenyl]sulfonyloxynaphthalene-2,7-disulfonic acid Openeye Name: 3-[4-[4-[(3,6-disulfo-2-naphthyl)oxysulfonyl]phenyl]phenyl]sulfonyloxynaphthalene-2,7-disulfonic acid CAS Name: 3-[4-[4-[(3,6-disulfo-2-naphthalenyl)oxysulfonyl]phenyl]phenyl]sulfonyloxynaphthalene-2,7-disulfonic acid IUPAC Name: 3-[4-[4-(3,6-disulfonaphthalen-2-yl)oxysulfonylphenyl]phenyl]sulfonyloxynaphthalene-2,7-disulfonic acid Traditional Name: 3-[4-[4-(3,6-disulfo-2-naphthoxy)sulfonylphenyl]phenyl]sulfonyloxynaphthalene-2,7-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=C(C=C4C=C(C=CC4=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)OC5=C(C=C6C=C(C=CC6=C5)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

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

InChI

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