4-[[4-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 4-[[4-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 4-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 4-[[[4-(2-chloroethylsulfonylmethyl)phenyl]-oxomethyl]amino]-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 4-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 4-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C20H18ClNO10S3 MolecularWeight: 564.00562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)CCCl)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)CCCl)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C20H18ClNO10S3/c21-7-8-33(25,26)11-12-1-3-13(4-2-12)20(24)22-16-5-6-18(35(30,31)32)15-9-14(34(27,28)29)10-17(23)19(15)16/h1-6,9-10,23H,7-8,11H2,(H,22,24)(H,27,28,29)(H,30,31,32)