4-octadecylnaphthalene-1,2,3-trisulfonic acid

Systemtic Name: 4-octadecylnaphthalene-1,2,3-trisulfonic acid Openeye Name: 4-octadecylnaphthalene-1,2,3-trisulfonic acid CAS Name: 4-octadecylnaphthalene-1,2,3-trisulfonic acid IUPAC Name: 4-octadecylnaphthalene-1,2,3-trisulfonic acid Traditional Name: 4-stearylnaphthalene-1,2,3-trisulfonic acid Formula: C28H44O9S3 MolecularWeight: 620.83856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C28H44O9S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-23-20-18-19-22-25(23)27(39(32,33)34)28(40(35,36)37)26(24)38(29,30)31/h18-20,22H,2-17,21H2,1H3,(H,29,30,31)(H,32,33,34)(H,35,36,37)