[4-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-1-oxidanyl-1-phosphono-butyl]phosphonic acid; methanamine

Systemtic Name: [4-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-1-oxidanyl-1-phosphono-butyl]phosphonic acid; methanamine Openeye Name: (4-chroman-3-yl-1-hydroxy-2-methyl-1-phosphono-butyl)phosphonic acid; methanamine CAS Name: [4-(3,4-dihydro-2H-1-benzopyran-3-yl)-1-hydroxy-2-methyl-1-phosphonobutyl]phosphonic acid; methanamine IUPAC Name: [4-(3,4-dihydro-2H-chromen-3-yl)-1-hydroxy-2-methyl-1-phosphonobutyl]phosphonic acid; methanamine Traditional Name: (4-chroman-3-yl-1-hydroxy-2-methyl-1-phosphono-butyl)phosphonic acid; methylamine Formula: C15H27NO8P2 MolecularWeight: 411.324302

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1CC2=CC=CC=C2OC1)C(O)(P(=O)(O)O)P(=O)(O)O.CN

Isomeric SMILES

CC(CCC1CC2=CC=CC=C2OC1)C(O)(P(=O)(O)O)P(=O)(O)O.CN

InChI

InChI=1S/C14H22O8P2.CH5N/c1-10(14(15,23(16,17)18)24(19,20)21)6-7-11-8-12-4-2-3-5-13(12)22-9-11;1-2/h2-5,10-11,15H,6-9H2,1H3,(H2,16,17,18)(H2,19,20,21);2H2,1H3