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

Systemtic Name: 2-[butanoyl(2-chloroethylsulfonyl)amino]-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 2-[butanoyl(2-chloroethylsulfonyl)amino]-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 2-[2-chloroethylsulfonyl(1-oxobutyl)amino]-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 2-[butanoyl(2-chloroethylsulfonyl)amino]-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 2-[butyryl(2-chloroethylsulfonyl)amino]-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C16H18ClNO10S3 MolecularWeight: 515.96282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=C(C2=CC(=CC(=C2C=C1)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)CCCl

Isomeric SMILES

CCCC(=O)N(C1=C(C2=CC(=CC(=C2C=C1)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)CCCl

InChI

InChI=1S/C16H18ClNO10S3/c1-2-3-15(20)18(29(21,22)7-6-17)13-5-4-11-12(16(13)31(26,27)28)8-10(9-14(11)19)30(23,24)25/h4-5,8-9,19H,2-3,6-7H2,1H3,(H,23,24,25)(H,26,27,28)