5-[[2-[2,6-bis(chloranyl)phenoxy]ethyl-propyl-amino]methyl]-5,6,7,8-tetrahydronaphthalene-2,3-diol; butanedioic acid

Systemtic Name: 5-[[2-[2,6-bis(chloranyl)phenoxy]ethyl-propyl-amino]methyl]-5,6,7,8-tetrahydronaphthalene-2,3-diol; butanedioic acid Openeye Name: 1-[[2-(2,6-dichlorophenoxy)ethyl-propyl-amino]methyl]tetralin-6,7-diol; succinic acid CAS Name: butanedioic acid; 5-[[2-(2,6-dichlorophenoxy)ethyl-propylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2,3-diol IUPAC Name: butanedioic acid; 5-[[2-(2,6-dichlorophenoxy)ethyl-propylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2,3-diol Traditional Name: 1-[[2-(2,6-dichlorophenoxy)ethyl-propyl-amino]methyl]tetralin-6,7-diol; succinic acid Formula: C26H33Cl2NO7 MolecularWeight: 542.44872

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCOC1=C(C=CC=C1Cl)Cl)CC2CCCC3=CC(=C(C=C23)O)O.C(CC(=O)O)C(=O)O

Isomeric SMILES

CCCN(CCOC1=C(C=CC=C1Cl)Cl)CC2CCCC3=CC(=C(C=C23)O)O.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C22H27Cl2NO3.C4H6O4/c1-2-9-25(10-11-28-22-18(23)7-4-8-19(22)24)14-16-6-3-5-15-12-20(26)21(27)13-17(15)16;5-3(6)1-2-4(7)8/h4,7-8,12-13,16,26-27H,2-3,5-6,9-11,14H2,1H3;1-2H2,(H,5,6)(H,7,8)