7-[bis(oxidanyl)phosphinothioylmethyl]naphthalene-1-carboxylic acid; 4-methylaniline

Systemtic Name: 7-[bis(oxidanyl)phosphinothioylmethyl]naphthalene-1-carboxylic acid; 4-methylaniline Openeye Name: 7-(dihydroxyphosphinothioylmethyl)naphthalene-1-carboxylic acid; 4-methylaniline CAS Name: 7-(dihydroxyphosphinothioylmethyl)-1-naphthalenecarboxylic acid; 4-methylaniline IUPAC Name: 7-(dihydroxyphosphinothioylmethyl)naphthalene-1-carboxylic acid; 4-methylaniline Traditional Name: 7-(dihydroxythiophosphorylmethyl)-1-naphthoic acid; p-toluidine Formula: C19H20NO4PS MolecularWeight: 389.405161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N.C1=CC2=C(C=C(C=C2)CP(=S)(O)O)C(=C1)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N.C1=CC2=C(C=C(C=C2)CP(=S)(O)O)C(=C1)C(=O)O

InChI

InChI=1S/C12H11O4PS.C7H9N/c13-12(14)10-3-1-2-9-5-4-8(6-11(9)10)7-17(15,16)18;1-6-2-4-7(8)5-3-6/h1-6H,7H2,(H,13,14)(H2,15,16,18);2-5H,8H2,1H3