3-[4-[7-[ethyl-(6-oxidanyl-6-oxidanylidene-hexyl)amino]-2-oxidanylidene-chromen-3-yl]pyridin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[4-[7-[ethyl-(6-oxidanyl-6-oxidanylidene-hexyl)amino]-2-oxidanylidene-chromen-3-yl]pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-[7-[ethyl-(6-hydroxy-6-oxo-hexyl)amino]-2-oxo-chromen-3-yl]pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-[7-[ethyl-(6-hydroxy-6-oxohexyl)amino]-2-oxo-1-benzopyran-3-yl]-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-[7-[ethyl-(6-hydroxy-6-oxohexyl)amino]-2-oxochromen-3-yl]pyridin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-[7-[ethyl-(6-hydroxy-6-keto-hexyl)amino]-2-keto-chromen-3-yl]pyridin-1-ium-1-yl]propane-1-sulfonate Formula: C25H30N2O7S MolecularWeight: 502.5799

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCCC(=O)O)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=[N+](C=C3)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCN(CCCCCC(=O)O)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=[N+](C=C3)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C25H30N2O7S/c1-2-27(13-5-3-4-7-24(28)29)21-9-8-20-17-22(25(30)34-23(20)18-21)19-10-14-26(15-11-19)12-6-16-35(31,32)33/h8-11,14-15,17-18H,2-7,12-13,16H2,1H3,(H-,28,29,31,32,33)