[3-[[4-(3-ethoxy-3-oxidanyl-propoxy)phenyl]amino]-3-oxidanylidene-propyl]-dimethyl-sulfanium; hydrogen sulfite

Systemtic Name: [3-[[4-(3-ethoxy-3-oxidanyl-propoxy)phenyl]amino]-3-oxidanylidene-propyl]-dimethyl-sulfanium; hydrogen sulfite Openeye Name: [3-[4-(3-ethoxy-3-hydroxy-propoxy)anilino]-3-oxo-propyl]-dimethyl-sulfonium; hydrogen sulfite CAS Name: [3-[4-(3-ethoxy-3-hydroxypropoxy)anilino]-3-oxopropyl]-dimethylsulfonium; hydrogen sulfite IUPAC Name: [3-[4-(3-ethoxy-3-hydroxypropoxy)anilino]-3-oxopropyl]-dimethylsulfanium; hydrogen sulfite Traditional Name: [3-[4-(3-ethoxy-3-hydroxy-propoxy)anilino]-3-keto-propyl]-dimethyl-sulfonium bisulfite Formula: C16H27NO7S2 MolecularWeight: 409.51808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCOC1=CC=C(C=C1)NC(=O)CC[S+](C)C)O.OS(=O)[O-]

Isomeric SMILES

CCOC(CCOC1=CC=C(C=C1)NC(=O)CC[S+](C)C)O.OS(=O)[O-]

InChI

InChI=1S/C16H25NO4S.H2O3S/c1-4-20-16(19)9-11-21-14-7-5-13(6-8-14)17-15(18)10-12-22(2)3;1-4(2)3/h5-8,16,19H,4,9-12H2,1-3H3;(H2,1,2,3)