3-pentylnaphthalene-1,2-disulfonic acid

Systemtic Name: 3-pentylnaphthalene-1,2-disulfonic acid Openeye Name: 3-pentylnaphthalene-1,2-disulfonic acid CAS Name: 3-pentylnaphthalene-1,2-disulfonic acid IUPAC Name: 3-pentylnaphthalene-1,2-disulfonic acid Traditional Name: 3-amylnaphthalene-1,2-disulfonic acid Formula: C15H18O6S2 MolecularWeight: 358.42982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=CC=CC=C2C(=C1S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCC1=CC2=CC=CC=C2C(=C1S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H18O6S2/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)15(23(19,20)21)14(12)22(16,17)18/h5-7,9-10H,2-4,8H2,1H3,(H,16,17,18)(H,19,20,21)