4-[butanoyl(2-chloroethylsulfonyl)amino]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[butanoyl(2-chloroethylsulfonyl)amino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[butanoyl(2-chloroethylsulfonyl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[2-chloroethylsulfonyl(1-oxobutyl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[butanoyl(2-chloroethylsulfonyl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[butyryl(2-chloroethylsulfonyl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C16H18ClNO10S3 MolecularWeight: 515.96282

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O)S(=O)(=O)CCCl

Isomeric SMILES

CCCC(=O)N(C1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O)S(=O)(=O)CCCl

InChI

InChI=1S/C16H18ClNO10S3/c1-2-3-15(20)18(29(21,22)5-4-17)13-8-11(30(23,24)25)6-10-7-12(31(26,27)28)9-14(19)16(10)13/h6-9,19H,2-5H2,1H3,(H,23,24,25)(H,26,27,28)