[[2-(1-adamantylimino)-4-(4-methylphenyl)-4-oxidanyl-1,3-thiazolidin-3-yl]-phosphono-methyl]phosphonic acid

Systemtic Name: [[2-(1-adamantylimino)-4-(4-methylphenyl)-4-oxidanyl-1,3-thiazolidin-3-yl]-phosphono-methyl]phosphonic acid Openeye Name: [[2-(1-adamantylimino)-4-hydroxy-4-(p-tolyl)thiazolidin-3-yl]-phosphono-methyl]phosphonic acid CAS Name: [[2-(1-adamantylimino)-4-hydroxy-4-(4-methylphenyl)-3-thiazolidinyl]-phosphonomethyl]phosphonic acid IUPAC Name: [[2-(1-adamantylimino)-4-hydroxy-4-(4-methylphenyl)-1,3-thiazolidin-3-yl]-phosphonomethyl]phosphonic acid Traditional Name: [[2-(1-adamantylimino)-4-hydroxy-4-(p-tolyl)thiazolidin-3-yl]-phosphono-methyl]phosphonic acid Formula: C21H30N2O7P2S MolecularWeight: 516.484622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CSC(=NC34CC5CC(C3)CC(C5)C4)N2C(P(=O)(O)O)P(=O)(O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2(CSC(=NC34CC5CC(C3)CC(C5)C4)N2C(P(=O)(O)O)P(=O)(O)O)O

InChI

InChI=1S/C21H30N2O7P2S/c1-13-2-4-17(5-3-13)21(24)12-33-18(23(21)19(31(25,26)27)32(28,29)30)22-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,14-16,19,24H,6-12H2,1H3,(H2,25,26,27)(H2,28,29,30)