4-[[3-(1-chloroethylsulfonyl)phenyl]carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[[3-(1-chloroethylsulfonyl)phenyl]carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[[3-(1-chloroethylsulfonyl)benzoyl]amino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[[[3-(1-chloroethylsulfonyl)phenyl]-oxomethyl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[[3-(1-chloroethylsulfonyl)benzoyl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[[3-(1-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClNO10S3/c1-10(20)32(24,25)13-4-2-3-11(5-13)19(23)21-16-8-14(33(26,27)28)6-12-7-15(34(29,30)31)9-17(22)18(12)16/h2-10,22H,1H3,(H,21,23)(H,26,27,28)(H,29,30,31)