4-[(4-sulfonaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid

Systemtic Name: 4-[(4-sulfonaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid Openeye Name: 4-[(4-sulfo-1-naphthyl)methyl]naphthalene-1-sulfonic acid CAS Name: 4-[(4-sulfo-1-naphthalenyl)methyl]-1-naphthalenesulfonic acid IUPAC Name: 4-[(4-sulfonaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid Traditional Name: 4-[(4-sulfo-1-naphthyl)methyl]naphthalene-1-sulfonic acid Formula: C21H16O6S2 MolecularWeight: 428.47814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)CC3=CC=C(C4=CC=CC=C34)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)CC3=CC=C(C4=CC=CC=C34)S(=O)(=O)O

InChI

InChI=1S/C21H16O6S2/c22-28(23,24)20-11-9-14(16-5-1-3-7-18(16)20)13-15-10-12-21(29(25,26)27)19-8-4-2-6-17(15)19/h1-12H,13H2,(H,22,23,24)(H,25,26,27)