6-[ethyl-[2-oxidanylidene-3-[1-(3-sulfopropyl)pyridin-1-ium-4-yl]chromen-7-yl]amino]hexanoic acid

Systemtic Name: 6-[ethyl-[2-oxidanylidene-3-[1-(3-sulfopropyl)pyridin-1-ium-4-yl]chromen-7-yl]amino]hexanoic acid Openeye Name: 6-[ethyl-[2-oxo-3-[1-(3-sulfopropyl)pyridin-1-ium-4-yl]chromen-7-yl]amino]hexanoic acid CAS Name: 6-[ethyl-[2-oxo-3-[1-(3-sulfopropyl)-4-pyridin-1-iumyl]-1-benzopyran-7-yl]amino]hexanoic acid IUPAC Name: 6-[ethyl-[2-oxo-3-[1-(3-sulfopropyl)pyridin-1-ium-4-yl]chromen-7-yl]amino]hexanoic acid Traditional Name: 6-[ethyl-[2-keto-3-[1-(3-sulfopropyl)pyridin-1-ium-4-yl]chromen-7-yl]amino]hexanoic acid Formula: C25H31N2O7S+ MolecularWeight: 503.58784

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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)/p+1