1-anthracen-9-yl-N,N-dimethyl-methanamine; but-2-ynedioic acid

Systemtic Name: 1-anthracen-9-yl-N,N-dimethyl-methanamine; but-2-ynedioic acid Openeye Name: 1-(9-anthryl)-N,N-dimethyl-methanamine; but-2-ynedioic acid CAS Name: 1-(9-anthracenyl)-N,N-dimethylmethanamine; 2-butynedioic acid IUPAC Name: 1-anthracen-9-yl-N,N-dimethylmethanamine; but-2-ynedioic acid Traditional Name: 9-anthrylmethyl(dimethyl)amine; but-2-ynedioic acid Formula: C38H36N2O4 MolecularWeight: 584.70344

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C2C=CC=CC2=CC3=CC=CC=C31.CN(C)CC1=C2C=CC=CC2=CC3=CC=CC=C31.C(#CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CC1=C2C=CC=CC2=CC3=CC=CC=C31.CN(C)CC1=C2C=CC=CC2=CC3=CC=CC=C31.C(#CC(=O)O)C(=O)O

InChI

InChI=1S/2C17H17N.C4H2O4/c2*1-18(2)12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17;5-3(6)1-2-4(7)8/h2*3-11H,12H2,1-2H3;(H,5,6)(H,7,8)