4-[5-(3,6-disulfonaphthalen-1-yl)oxysulfonylnaphthalen-1-yl]sulfonyloxynaphthalene-2,7-disulfonic acid

Systemtic Name: 4-[5-(3,6-disulfonaphthalen-1-yl)oxysulfonylnaphthalen-1-yl]sulfonyloxynaphthalene-2,7-disulfonic acid Openeye Name: 4-[[5-[(3,6-disulfo-1-naphthyl)oxysulfonyl]-1-naphthyl]sulfonyloxy]naphthalene-2,7-disulfonic acid CAS Name: 4-[[5-[(3,6-disulfo-1-naphthalenyl)oxysulfonyl]-1-naphthalenyl]sulfonyloxy]naphthalene-2,7-disulfonic acid IUPAC Name: 4-[5-(3,6-disulfonaphthalen-1-yl)oxysulfonylnaphthalen-1-yl]sulfonyloxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[[5-(3,6-disulfo-1-naphthoxy)sulfonyl-1-naphthyl]sulfonyloxy]naphthalene-2,7-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=C4C=CC(=CC4=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)C(=C1)S(=O)(=O)OC5=C6C=CC(=CC6=CC(=C5)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

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

InChI

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