4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; N-diphenoxyphosphoryl-N',N'-diethyl-ethane-1,2-diamine

Systemtic Name: 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; N-diphenoxyphosphoryl-N',N'-diethyl-ethane-1,2-diamine Openeye Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; N-diphenoxyphosphoryl-N',N'-diethyl-ethane-1,2-diamine CAS Name: 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid; N-diphenoxyphosphoryl-N',N'-diethylethane-1,2-diamine IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; N-diphenoxyphosphoryl-N',N'-diethylethane-1,2-diamine Traditional Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid; 2-(diphenoxyphosphorylamino)ethyl-diethyl-amine Formula: C59H66N4O12P2 MolecularWeight: 1085.122462

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2.CCN(CC)CCNP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

Isomeric SMILES

CCN(CC)CCNP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2.CCN(CC)CCNP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

InChI

InChI=1S/C23H16O6.2C18H25N2O3P/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*1-3-20(4-2)16-15-19-24(21,22-17-11-7-5-8-12-17)23-18-13-9-6-10-14-18/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*5-14H,3-4,15-16H2,1-2H3,(H,19,21)