chloranylmethane; 2-[3-(dimethylamino)-2-oxidanyl-propoxy]-3,4-dimethyl-thioxanthen-9-one

Systemtic Name: chloranylmethane; 2-[3-(dimethylamino)-2-oxidanyl-propoxy]-3,4-dimethyl-thioxanthen-9-one Openeye Name: chloromethane; 2-[3-(dimethylamino)-2-hydroxy-propoxy]-3,4-dimethyl-thioxanthen-9-one CAS Name: chloromethane; 2-[3-(dimethylamino)-2-hydroxypropoxy]-3,4-dimethyl-9-thioxanthenone IUPAC Name: chloromethane; 2-[3-(dimethylamino)-2-hydroxypropoxy]-3,4-dimethylthioxanthen-9-one Traditional Name: chloromethane; 2-[3-(dimethylamino)-2-hydroxy-propoxy]-3,4-dimethyl-thioxanthen-9-one Formula: C21H26ClNO3S MolecularWeight: 407.95404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1C)SC3=CC=CC=C3C2=O)OCC(CN(C)C)O.CCl

Isomeric SMILES

CC1=C(C=C2C(=C1C)SC3=CC=CC=C3C2=O)OCC(CN(C)C)O.CCl

InChI

InChI=1S/C20H23NO3S.CH3Cl/c1-12-13(2)20-16(9-17(12)24-11-14(22)10-21(3)4)19(23)15-7-5-6-8-18(15)25-20;1-2/h5-9,14,22H,10-11H2,1-4H3;1H3