11-[[5-methyl-2-(4-oxidanylsulfonothioylbutoxy)phenyl]amino]-11-oxidanylidene-undecane-1-sulfinic acid

Systemtic Name: 11-[[5-methyl-2-(4-oxidanylsulfonothioylbutoxy)phenyl]amino]-11-oxidanylidene-undecane-1-sulfinic acid Openeye Name: 11-[2-(4-hydroxysulfonothioylbutoxy)-5-methyl-anilino]-11-oxo-undecane-1-sulfinic acid CAS Name: 11-[2-(4-hydroxysulfonothioylbutoxy)-5-methylanilino]-11-oxo-1-undecanesulfinic acid IUPAC Name: 11-[2-(4-hydroxysulfonothioylbutoxy)-5-methylanilino]-11-oxoundecane-1-sulfinic acid Traditional Name: 11-[2-(4-hydroxysulfonothioylbutoxy)-5-methyl-anilino]-11-keto-undecane-1-sulfinic acid Formula: C22H37NO6S3 MolecularWeight: 507.72728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCS(=O)(=S)O)NC(=O)CCCCCCCCCCS(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCS(=O)(=S)O)NC(=O)CCCCCCCCCCS(=O)O

InChI

InChI=1S/C22H37NO6S3/c1-19-13-14-21(29-15-9-11-17-32(27,28)30)20(18-19)23-22(24)12-8-6-4-2-3-5-7-10-16-31(25)26/h13-14,18H,2-12,15-17H2,1H3,(H,23,24)(H,25,26)(H,27,28,30)