2,4-bis[4-(4-chloranylphenoxy)phenyl]benzene-1,3-disulfonate

Systemtic Name: 2,4-bis[4-(4-chloranylphenoxy)phenyl]benzene-1,3-disulfonate Openeye Name: 2,4-bis[4-(4-chlorophenoxy)phenyl]benzene-1,3-disulfonate CAS Name: 2,4-bis[4-(4-chlorophenoxy)phenyl]benzene-1,3-disulfonate IUPAC Name: 2,4-bis[4-(4-chlorophenoxy)phenyl]benzene-1,3-disulfonate Traditional Name: 2,4-bis[4-(4-chlorophenoxy)phenyl]benzene-1,3-disulfonate Formula: C30H18Cl2O8S2-2 MolecularWeight: 641.49512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)OC4=CC=C(C=C4)Cl)S(=O)(=O)[O-])OC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)OC4=CC=C(C=C4)Cl)S(=O)(=O)[O-])OC5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H20Cl2O8S2/c31-21-5-13-25(14-6-21)39-23-9-1-19(2-10-23)27-17-18-28(41(33,34)35)29(30(27)42(36,37)38)20-3-11-24(12-4-20)40-26-15-7-22(32)8-16-26/h1-18H,(H,33,34,35)(H,36,37,38)/p-2