4-[4-(3,6-disulfonaphthalen-1-yl)oxycarbonylphenyl]carbonyloxynaphthalene-2,7-disulfonic acid

Systemtic Name: 4-[4-(3,6-disulfonaphthalen-1-yl)oxycarbonylphenyl]carbonyloxynaphthalene-2,7-disulfonic acid Openeye Name: 4-[4-[(3,6-disulfo-1-naphthyl)oxycarbonyl]benzoyl]oxynaphthalene-2,7-disulfonic acid CAS Name: 4-[[4-[(3,6-disulfo-1-naphthalenyl)oxy-oxomethyl]phenyl]-oxomethoxy]naphthalene-2,7-disulfonic acid IUPAC Name: 4-[4-(3,6-disulfonaphthalen-1-yl)oxycarbonylbenzoyl]oxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[4-(3,6-disulfo-1-naphthoxy)carbonylbenzoyl]oxynaphthalene-2,7-disulfonic acid Formula: C28H18O16S4 MolecularWeight: 738.69292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=C3C=CC(=CC3=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)C(=O)OC4=C5C=CC(=CC5=CC(=C4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=C3C=CC(=CC3=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)C(=O)OC4=C5C=CC(=CC5=CC(=C4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C28H18O16S4/c29-27(43-25-13-21(47(37,38)39)11-17-9-19(45(31,32)33)5-7-23(17)25)15-1-2-16(4-3-15)28(30)44-26-14-22(48(40,41)42)12-18-10-20(46(34,35)36)6-8-24(18)26/h1-14H,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)