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

Systemtic Name: 7-[3-(6,8-disulfonaphthalen-2-yl)oxysulfonyl-2,4,6-trimethyl-phenyl]sulfonyloxynaphthalene-1,3-disulfonic acid Openeye Name: 7-[3-[(6,8-disulfo-2-naphthyl)oxysulfonyl]-2,4,6-trimethyl-phenyl]sulfonyloxynaphthalene-1,3-disulfonic acid CAS Name: 7-[3-[(6,8-disulfo-2-naphthalenyl)oxysulfonyl]-2,4,6-trimethylphenyl]sulfonyloxynaphthalene-1,3-disulfonic acid IUPAC Name: 7-[3-(6,8-disulfonaphthalen-2-yl)oxysulfonyl-2,4,6-trimethylphenyl]sulfonyloxynaphthalene-1,3-disulfonic acid Traditional Name: 7-[3-(6,8-disulfo-2-naphthoxy)sulfonyl-2,4,6-trimethyl-phenyl]sulfonyloxynaphthalene-1,3-disulfonic acid Formula: C29H24O18S6 MolecularWeight: 852.88006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)OC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)C)S(=O)(=O)OC4=CC5=C(C=C(C=C5C=C4)S(=O)(=O)O)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)OC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)C)S(=O)(=O)OC4=CC5=C(C=C(C=C5C=C4)S(=O)(=O)O)S(=O)(=O)O)C

InChI

InChI=1S/C29H24O18S6/c1-15-8-16(2)29(53(44,45)47-21-7-5-19-10-23(49(33,34)35)14-27(25(19)12-21)51(39,40)41)17(3)28(15)52(42,43)46-20-6-4-18-9-22(48(30,31)32)13-26(24(18)11-20)50(36,37)38/h4-14H,1-3H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,39,40,41)