3-azanyl-5,7-bis(2-hydroxyethylsulfonyl)naphthalene-2-sulfonic acid

Systemtic Name: 3-azanyl-5,7-bis(2-hydroxyethylsulfonyl)naphthalene-2-sulfonic acid Openeye Name: 3-amino-5,7-bis(2-hydroxyethylsulfonyl)naphthalene-2-sulfonic acid CAS Name: 3-amino-5,7-bis(2-hydroxyethylsulfonyl)-2-naphthalenesulfonic acid IUPAC Name: 3-amino-5,7-bis(2-hydroxyethylsulfonyl)naphthalene-2-sulfonic acid Traditional Name: 3-amino-5,7-bis(2-hydroxyethylsulfonyl)naphthalene-2-sulfonic acid Formula: C14H17NO9S3 MolecularWeight: 439.48108

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=CC(=C1S(=O)(=O)O)N)S(=O)(=O)CCO)S(=O)(=O)CCO

Isomeric SMILES

C1=C2C=C(C=C(C2=CC(=C1S(=O)(=O)O)N)S(=O)(=O)CCO)S(=O)(=O)CCO

InChI

InChI=1S/C14H17NO9S3/c15-12-8-11-9(6-14(12)27(22,23)24)5-10(25(18,19)3-1-16)7-13(11)26(20,21)4-2-17/h5-8,16-17H,1-4,15H2,(H,22,23,24)