5-(4,6-dimethyl-2,3-dihydro-1H-inden-5-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione; [methyl(sulfino)amino]methane

Systemtic Name: 5-(4,6-dimethyl-2,3-dihydro-1H-inden-5-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione; [methyl(sulfino)amino]methane Openeye Name: 5-(4,6-dimethylindan-5-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione; [methyl(sulfino)amino]methane CAS Name: 5-(4,6-dimethyl-2,3-dihydro-1H-inden-5-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione; [methyl(sulfino)amino]methane IUPAC Name: 5-(4,6-dimethyl-2,3-dihydro-1H-inden-5-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione; [methyl(sulfino)amino]methane Traditional Name: 5-(4,6-dimethylindan-5-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-quinone; [methyl(sulfino)amino]methane Formula: C22H31NO5S MolecularWeight: 421.55024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=C(C=C3CCCC3=C2C)C)O.CN(C)S(=O)O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=C(C=C3CCCC3=C2C)C)O.CN(C)S(=O)O

InChI

InChI=1S/C20H24O3.C2H7NO2S/c1-4-16(21)20-17(22)9-14(10-18(20)23)19-11(2)8-13-6-5-7-15(13)12(19)3;1-3(2)6(4)5/h8,14,21H,4-7,9-10H2,1-3H3;1-2H3,(H,4,5)