6-[bis(6-sulfonaphthalen-2-yl)methyl]naphthalene-2-sulfonic acid

Systemtic Name: 6-[bis(6-sulfonaphthalen-2-yl)methyl]naphthalene-2-sulfonic acid Openeye Name: 6-[bis(6-sulfo-2-naphthyl)methyl]naphthalene-2-sulfonic acid CAS Name: 6-[bis(6-sulfo-2-naphthalenyl)methyl]-2-naphthalenesulfonic acid IUPAC Name: 6-[bis(6-sulfonaphthalen-2-yl)methyl]naphthalene-2-sulfonic acid Traditional Name: 6-[bis(6-sulfo-2-naphthyl)methyl]naphthalene-2-sulfonic acid Formula: C31H22O9S3 MolecularWeight: 634.69598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C=C1C(C3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)C5=CC6=C(C=C5)C=C(C=C6)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C=C1C(C3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)C5=CC6=C(C=C5)C=C(C=C6)S(=O)(=O)O

InChI

InChI=1S/C31H22O9S3/c32-41(33,34)28-10-7-19-13-25(4-1-22(19)16-28)31(26-5-2-23-17-29(42(35,36)37)11-8-20(23)14-26)27-6-3-24-18-30(43(38,39)40)12-9-21(24)15-27/h1-18,31H,(H,32,33,34)(H,35,36,37)(H,38,39,40)