4-[[3-(2-chloroethylsulfonyl)phenyl]carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[[3-(2-chloroethylsulfonyl)phenyl]carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[[3-(2-chloroethylsulfonyl)benzoyl]amino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[[[3-(2-chloroethylsulfonyl)phenyl]-oxomethyl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[[3-(2-chloroethylsulfonyl)benzoyl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[[3-(2-chloroethylsulfonyl)benzoyl]amino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C19H16ClNO10S3 MolecularWeight: 549.97904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)CCCl)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)CCCl)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

InChI

InChI=1S/C19H16ClNO10S3/c20-4-5-32(24,25)13-3-1-2-11(6-13)19(23)21-16-9-14(33(26,27)28)7-12-8-15(34(29,30)31)10-17(22)18(12)16/h1-3,6-10,22H,4-5H2,(H,21,23)(H,26,27,28)(H,29,30,31)