3-(acridin-9-ylamino)-2-oxidanyl-5-sulfo-benzoic acid

Systemtic Name: 3-(acridin-9-ylamino)-2-oxidanyl-5-sulfo-benzoic acid Openeye Name: 3-(acridin-9-ylamino)-2-hydroxy-5-sulfo-benzoic acid CAS Name: 3-(9-acridinylamino)-2-hydroxy-5-sulfobenzoic acid IUPAC Name: 3-(acridin-9-ylamino)-2-hydroxy-5-sulfobenzoic acid Traditional Name: 3-(acridin-9-ylamino)-2-hydroxy-5-sulfo-benzoic acid Formula: C20H14N2O6S MolecularWeight: 410.39996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=C(C(=CC(=C4)S(=O)(=O)O)C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=C(C(=CC(=C4)S(=O)(=O)O)C(=O)O)O

InChI

InChI=1S/C20H14N2O6S/c23-19-14(20(24)25)9-11(29(26,27)28)10-17(19)22-18-12-5-1-3-7-15(12)21-16-8-4-2-6-13(16)18/h1-10,23H,(H,21,22)(H,24,25)(H,26,27,28)