2,3-dibutyl-4-iodanyl-naphthalene-1-sulfonate

Systemtic Name: 2,3-dibutyl-4-iodanyl-naphthalene-1-sulfonate Openeye Name: 2,3-dibutyl-4-iodo-naphthalene-1-sulfonate CAS Name: 2,3-dibutyl-4-iodo-1-naphthalenesulfonate IUPAC Name: 2,3-dibutyl-4-iodonaphthalene-1-sulfonate Traditional Name: 2,3-dibutyl-4-iodo-naphthalene-1-sulfonate Formula: C18H22IO3S- MolecularWeight: 445.33495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2C(=C1CCCC)I)S(=O)(=O)[O-]

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2C(=C1CCCC)I)S(=O)(=O)[O-]

InChI

InChI=1S/C18H23IO3S/c1-3-5-9-13-15(10-6-4-2)18(23(20,21)22)16-12-8-7-11-14(16)17(13)19/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,20,21,22)/p-1