7-[5-(6,8-disulfonaphthalen-2-yl)oxysulfonylnaphthalen-1-yl]sulfonyloxynaphthalene-1,3-disulfonic acid

Systemtic Name: 7-[5-(6,8-disulfonaphthalen-2-yl)oxysulfonylnaphthalen-1-yl]sulfonyloxynaphthalene-1,3-disulfonic acid Openeye Name: 7-[[5-[(6,8-disulfo-2-naphthyl)oxysulfonyl]-1-naphthyl]sulfonyloxy]naphthalene-1,3-disulfonic acid CAS Name: 7-[[5-[(6,8-disulfo-2-naphthalenyl)oxysulfonyl]-1-naphthalenyl]sulfonyloxy]naphthalene-1,3-disulfonic acid IUPAC Name: 7-[5-(6,8-disulfonaphthalen-2-yl)oxysulfonylnaphthalen-1-yl]sulfonyloxynaphthalene-1,3-disulfonic acid Traditional Name: 7-[[5-(6,8-disulfo-2-naphthoxy)sulfonyl-1-naphthyl]sulfonyloxy]naphthalene-1,3-disulfonic acid Formula: C30H20O18S6 MolecularWeight: 860.859

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2S(=O)(=O)OC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O)C(=C1)S(=O)(=O)OC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC=C2S(=O)(=O)OC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O)C(=C1)S(=O)(=O)OC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C30H20O18S6/c31-49(32,33)21-11-17-7-9-19(13-25(17)29(15-21)51(37,38)39)47-53(43,44)27-5-1-3-23-24(27)4-2-6-28(23)54(45,46)48-20-10-8-18-12-22(50(34,35)36)16-30(26(18)14-20)52(40,41)42/h1-16H,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)