2-[2-chloroethylsulfonyl(methyl)amino]-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 2-[2-chloroethylsulfonyl(methyl)amino]-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 2-[2-chloroethylsulfonyl(methyl)amino]-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 2-[2-chloroethylsulfonyl(methyl)amino]-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 2-[2-chloroethylsulfonyl(methyl)amino]-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 2-[2-chloroethylsulfonyl(methyl)amino]-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C13H14ClNO9S3 MolecularWeight: 459.89956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C2=CC(=CC(=C2C=C1)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)CCCl

Isomeric SMILES

CN(C1=C(C2=CC(=CC(=C2C=C1)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)CCCl

InChI

InChI=1S/C13H14ClNO9S3/c1-15(25(17,18)5-4-14)11-3-2-9-10(13(11)27(22,23)24)6-8(7-12(9)16)26(19,20)21/h2-3,6-7,16H,4-5H2,1H3,(H,19,20,21)(H,22,23,24)