3-octadecylnaphthalene-1,2-disulfonic acid

Systemtic Name: 3-octadecylnaphthalene-1,2-disulfonic acid Openeye Name: 3-octadecylnaphthalene-1,2-disulfonic acid CAS Name: 3-octadecylnaphthalene-1,2-disulfonic acid IUPAC Name: 3-octadecylnaphthalene-1,2-disulfonic acid Traditional Name: 3-stearylnaphthalene-1,2-disulfonic acid Formula: C28H44O6S2 MolecularWeight: 540.77536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC2=CC=CC=C2C(=C1S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC2=CC=CC=C2C(=C1S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C28H44O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-23-24-20-18-19-22-26(24)28(36(32,33)34)27(25)35(29,30)31/h18-20,22-23H,2-17,21H2,1H3,(H,29,30,31)(H,32,33,34)