anthracene-2-carboxylic acid; N-(2-azanylethyl)-3,4,5-tridodecoxy-benzamide

Systemtic Name: anthracene-2-carboxylic acid; N-(2-azanylethyl)-3,4,5-tridodecoxy-benzamide Openeye Name: N-(2-aminoethyl)-3,4,5-tridodecoxy-benzamide; anthracene-2-carboxylic acid CAS Name: N-(2-aminoethyl)-3,4,5-tridodecoxybenzamide; 2-anthracenecarboxylic acid IUPAC Name: N-(2-aminoethyl)-3,4,5-tridodecoxybenzamide; anthracene-2-carboxylic acid Traditional Name: N-(2-aminoethyl)-3,4,5-trilauryloxy-benzamide; anthracene-2-carboxylic acid Formula: C60H94N2O6 MolecularWeight: 939.39816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C(=O)NCCN.C1=CC=C2C=C3C=C(C=CC3=CC2=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C(=O)NCCN.C1=CC=C2C=C3C=C(C=CC3=CC2=C1)C(=O)O

InChI

InChI=1S/C45H84N2O4.C15H10O2/c1-4-7-10-13-16-19-22-25-28-31-36-49-42-39-41(45(48)47-35-34-46)40-43(50-37-32-29-26-23-20-17-14-11-8-5-2)44(42)51-38-33-30-27-24-21-18-15-12-9-6-3;16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/h39-40H,4-38,46H2,1-3H3,(H,47,48);1-9H,(H,16,17)