3-[ethyl-(5-oxidanyl-2-oxidanylidene-benzo[a]phenoxazin-9-yl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[ethyl-(5-oxidanyl-2-oxidanylidene-benzo[a]phenoxazin-9-yl)amino]propane-1-sulfonic acid Openeye Name: 3-[ethyl-(5-hydroxy-2-oxo-benzo[a]phenoxazin-9-yl)amino]propane-1-sulfonic acid CAS Name: 3-[ethyl-(5-hydroxy-2-oxo-9-benzo[a]phenoxazinyl)amino]-1-propanesulfonic acid IUPAC Name: 3-[ethyl-(5-hydroxy-2-oxobenzo[a]phenoxazin-9-yl)amino]propane-1-sulfonic acid Traditional Name: 3-[ethyl-(5-hydroxy-2-keto-benzo[a]phenoxazin-9-yl)amino]propane-1-sulfonic acid Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCS(=O)(=O)O)C1=CC2=C(C=C1)N=C3C4=CC(=O)C=CC4=C(C=C3O2)O

Isomeric SMILES

CCN(CCCS(=O)(=O)O)C1=CC2=C(C=C1)N=C3C4=CC(=O)C=CC4=C(C=C3O2)O

InChI

InChI=1S/C21H20N2O6S/c1-2-23(8-3-9-30(26,27)28)13-4-7-17-19(10-13)29-20-12-18(25)15-6-5-14(24)11-16(15)21(20)22-17/h4-7,10-12,25H,2-3,8-9H2,1H3,(H,26,27,28)