4-oxidanyl-7-(3-sulfopropanoylamino)naphthalene-2-sulfonic acid

Systemtic Name: 4-oxidanyl-7-(3-sulfopropanoylamino)naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-7-(3-sulfopropanoylamino)naphthalene-2-sulfonic acid CAS Name: 4-hydroxy-7-[(1-oxo-3-sulfopropyl)amino]-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-7-(3-sulfopropanoylamino)naphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-7-(3-sulfopropanoylamino)naphthalene-2-sulfonic acid Formula: C13H13NO8S2 MolecularWeight: 375.37422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C=C1NC(=O)CCS(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1NC(=O)CCS(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C13H13NO8S2/c15-12-7-10(24(20,21)22)6-8-5-9(1-2-11(8)12)14-13(16)3-4-23(17,18)19/h1-2,5-7,15H,3-4H2,(H,14,16)(H,17,18,19)(H,20,21,22)