oxidanyl-oxidanylidene-(6-oxidanylsulfonothioyloxyhexoxy)-sulfanylidene-$l^{6}-sulfane; (4-phenylazanylphenyl)-propan-2-yl-azanium

Systemtic Name: oxidanyl-oxidanylidene-(6-oxidanylsulfonothioyloxyhexoxy)-sulfanylidene-$l^{6}-sulfane; (4-phenylazanylphenyl)-propan-2-yl-azanium Openeye Name: (4-anilinophenyl)-isopropyl-ammonium; hydroxy-(6-hydroxysulfonothioyloxyhexoxy)-oxo-thioxo-$l^{6}-sulfane CAS Name: (4-anilinophenyl)-propan-2-ylammonium; hydroxy-(6-hydroxysulfonothioyloxyhexoxy)-oxo-sulfanylidene-$l^{6}-sulfane IUPAC Name: (4-anilinophenyl)-propan-2-ylazanium; hydroxy-(6-hydroxysulfonothioyloxyhexoxy)-oxo-sulfanylidene-$l^{6}-sulfane Traditional Name: (4-anilinophenyl)-isopropyl-ammonium; hydroxy-(6-hydroxysulfonothioyloxyhexoxy)-keto-thioxo-$l^{6}-sulfane Formula: C21H33N2O6S4+ MolecularWeight: 537.75652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]C1=CC=C(C=C1)NC2=CC=CC=C2.C(CCCOS(=O)(=S)O)CCOS(=O)(=S)O

Isomeric SMILES

CC(C)[NH2+]C1=CC=C(C=C1)NC2=CC=CC=C2.C(CCCOS(=O)(=S)O)CCOS(=O)(=S)O

InChI

InChI=1S/C15H18N2.C6H14O6S4/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13;7-15(8,13)11-5-3-1-2-4-6-12-16(9,10)14/h3-12,16-17H,1-2H3;1-6H2,(H,7,8,13)(H,9,10,14)/p+1