4-[2-(2-chloroethylsulfonyl)ethylcarbamoylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 4-[2-(2-chloroethylsulfonyl)ethylcarbamoylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 4-[2-(2-chloroethylsulfonyl)ethylcarbamoylamino]-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 4-[[[2-(2-chloroethylsulfonyl)ethylamino]-oxomethyl]amino]-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 4-[2-(2-chloroethylsulfonyl)ethylcarbamoylamino]-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 4-[2-(2-chloroethylsulfonyl)ethylcarbamoylamino]-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C15H17ClN2O10S3 MolecularWeight: 516.95088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C=C(C2=C1NC(=O)NCCS(=O)(=O)CCCl)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C2C=C(C=C(C2=C1NC(=O)NCCS(=O)(=O)CCCl)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H17ClN2O10S3/c16-3-5-29(21,22)6-4-17-15(20)18-11-1-2-13(31(26,27)28)10-7-9(30(23,24)25)8-12(19)14(10)11/h1-2,7-8,19H,3-6H2,(H2,17,18,20)(H,23,24,25)(H,26,27,28)