3-octylnaphthalene-1,2-disulfonic acid

Systemtic Name: 3-octylnaphthalene-1,2-disulfonic acid Openeye Name: 3-octylnaphthalene-1,2-disulfonic acid CAS Name: 3-octylnaphthalene-1,2-disulfonic acid IUPAC Name: 3-octylnaphthalene-1,2-disulfonic acid Traditional Name: 3-octylnaphthalene-1,2-disulfonic acid Formula: C18H24O6S2 MolecularWeight: 400.50956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=CC=CC=C2C(=C1S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCC1=CC2=CC=CC=C2C(=C1S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H24O6S2/c1-2-3-4-5-6-7-11-15-13-14-10-8-9-12-16(14)18(26(22,23)24)17(15)25(19,20)21/h8-10,12-13H,2-7,11H2,1H3,(H,19,20,21)(H,22,23,24)