1-[4-[(E)-[2,3-bis(dioxidanyl)-4-phosphanyloxy-phenyl]-(2,3-dihydrothiochromen-4-ylidene)methyl]phenoxy]-N,N-dimethyl-ethanamine

Systemtic Name: 1-[4-[(E)-[2,3-bis(dioxidanyl)-4-phosphanyloxy-phenyl]-(2,3-dihydrothiochromen-4-ylidene)methyl]phenoxy]-N,N-dimethyl-ethanamine Openeye Name: 1-[4-[(E)-(2,3-dihydroperoxy-4-phosphanyloxy-phenyl)-thiochroman-4-ylidene-methyl]phenoxy]-N,N-dimethyl-ethanamine CAS Name: 1-[4-[(E)-2,3-dihydro-1-benzothiopyran-4-ylidene-(2,3-dihydroperoxy-4-phosphinooxyphenyl)methyl]phenoxy]-N,N-dimethylethanamine IUPAC Name: 1-[4-[(E)-(2,3-dihydroperoxy-4-phosphanyloxyphenyl)-(2,3-dihydrothiochromen-4-ylidene)methyl]phenoxy]-N,N-dimethylethanamine Traditional Name: 1-[4-[(E)-(2,3-dihydroperoxy-4-phosphinooxy-phenyl)-thiochroman-4-ylidene-methyl]phenoxy]ethyl-dimethyl-amine Formula: C26H28NO6PS MolecularWeight: 513.542381

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Descriptors Computed from Structure

Canonical SMILES:

CC(N(C)C)OC1=CC=C(C=C1)C(=C2CCSC3=CC=CC=C23)C4=C(C(=C(C=C4)OP)OO)OO

Isomeric SMILES

CC(N(C)C)OC1=CC=C(C=C1)/C(=C\2/CCSC3=CC=CC=C23)/C4=C(C(=C(C=C4)OP)OO)OO

InChI

InChI=1S/C26H28NO6PS/c1-16(27(2)3)30-18-10-8-17(9-11-18)24(20-14-15-35-23-7-5-4-6-19(20)23)21-12-13-22(33-34)26(32-29)25(21)31-28/h4-13,16,28-29H,14-15,34H2,1-3H3/b24-20+