2-[4-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)amino]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)amino]phenoxy]ethanoic acid Openeye Name: 2-[4-[(5-hydroxy-7-sulfo-2-naphthyl)amino]phenoxy]acetic acid CAS Name: 2-[4-[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]phenoxy]acetic acid IUPAC Name: 2-[4-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]phenoxy]acetic acid Traditional Name: 2-[4-[(5-hydroxy-7-sulfo-2-naphthyl)amino]phenoxy]acetic acid Formula: C18H15NO7S MolecularWeight: 389.3792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O)OCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O)OCC(=O)O

InChI

InChI=1S/C18H15NO7S/c20-17-9-15(27(23,24)25)8-11-7-13(3-6-16(11)17)19-12-1-4-14(5-2-12)26-10-18(21)22/h1-9,19-20H,10H2,(H,21,22)(H,23,24,25)