1-(phenylmethyl)-3-[[4-(phenylmethyl)-3-sulfo-naphthalen-2-yl]methyl]naphthalene-2-sulfonic acid

Systemtic Name: 1-(phenylmethyl)-3-[[4-(phenylmethyl)-3-sulfo-naphthalen-2-yl]methyl]naphthalene-2-sulfonic acid Openeye Name: 1-benzyl-3-[(4-benzyl-3-sulfo-2-naphthyl)methyl]naphthalene-2-sulfonic acid CAS Name: 1-(phenylmethyl)-3-[[4-(phenylmethyl)-3-sulfo-2-naphthalenyl]methyl]-2-naphthalenesulfonic acid IUPAC Name: 1-benzyl-3-[(4-benzyl-3-sulfonaphthalen-2-yl)methyl]naphthalene-2-sulfonic acid Traditional Name: 1-benzyl-3-[(4-benzyl-3-sulfo-2-naphthyl)methyl]naphthalene-2-sulfonic acid Formula: C35H28O6S2 MolecularWeight: 608.72322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=CC3=CC=CC=C32)CC4=CC5=CC=CC=C5C(=C4S(=O)(=O)O)CC6=CC=CC=C6)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=CC3=CC=CC=C32)CC4=CC5=CC=CC=C5C(=C4S(=O)(=O)O)CC6=CC=CC=C6)S(=O)(=O)O

InChI

InChI=1S/C35H28O6S2/c36-42(37,38)34-28(21-26-15-7-9-17-30(26)32(34)19-24-11-3-1-4-12-24)23-29-22-27-16-8-10-18-31(27)33(35(29)43(39,40)41)20-25-13-5-2-6-14-25/h1-18,21-22H,19-20,23H2,(H,36,37,38)(H,39,40,41)