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

Systemtic Name: 3-[[3-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 3-[[3-(2-chloroethylsulfonylmethyl)benzoyl]amino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 3-[[[3-(2-chloroethylsulfonylmethyl)phenyl]-oxomethyl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 3-[[3-(2-chloroethylsulfonylmethyl)benzoyl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 3-[[3-(2-chloroethylsulfonylmethyl)benzoyl]amino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C20H18ClNO10S3 MolecularWeight: 564.00562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CS(=O)(=O)CCCl)C(=O)NC2=C(C=C3C=C(C=C(C3=C2)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CS(=O)(=O)CCCl)C(=O)NC2=C(C=C3C=C(C=C(C3=C2)O)S(=O)(=O)O)S(=O)(=O)O

InChI

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