4,8-bis(2-chloranylpentyl)naphthalene-1-sulfonate

Systemtic Name: 4,8-bis(2-chloranylpentyl)naphthalene-1-sulfonate Openeye Name: 4,8-bis(2-chloropentyl)naphthalene-1-sulfonate CAS Name: 4,8-bis(2-chloropentyl)-1-naphthalenesulfonate IUPAC Name: 4,8-bis(2-chloropentyl)naphthalene-1-sulfonate Traditional Name: 4,8-bis(2-chloropentyl)naphthalene-1-sulfonate Formula: C20H25Cl2O3S- MolecularWeight: 416.3817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=C2C=CC=C(C2=C(C=C1)S(=O)(=O)[O-])CC(CCC)Cl)Cl

Isomeric SMILES

CCCC(CC1=C2C=CC=C(C2=C(C=C1)S(=O)(=O)[O-])CC(CCC)Cl)Cl

InChI

InChI=1S/C20H26Cl2O3S/c1-3-6-16(21)12-14-10-11-19(26(23,24)25)20-15(8-5-9-18(14)20)13-17(22)7-4-2/h5,8-11,16-17H,3-4,6-7,12-13H2,1-2H3,(H,23,24,25)/p-1