5-nonyl-2-oxidanyl-benzene-1,3-disulfonic acid

Systemtic Name: 5-nonyl-2-oxidanyl-benzene-1,3-disulfonic acid Openeye Name: 2-hydroxy-5-nonyl-benzene-1,3-disulfonic acid CAS Name: 2-hydroxy-5-nonylbenzene-1,3-disulfonic acid IUPAC Name: 2-hydroxy-5-nonylbenzene-1,3-disulfonic acid Traditional Name: 2-hydroxy-5-nonyl-benzene-1,3-disulfonic acid Formula: C15H24O7S2 MolecularWeight: 380.47686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C(=C1)S(=O)(=O)O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C(=C1)S(=O)(=O)O)O)S(=O)(=O)O

InChI

InChI=1S/C15H24O7S2/c1-2-3-4-5-6-7-8-9-12-10-13(23(17,18)19)15(16)14(11-12)24(20,21)22/h10-11,16H,2-9H2,1H3,(H,17,18,19)(H,20,21,22)