1-(tridecan-7-ylamino)perylene-3,4,9,10-tetracarboxylic acid

Systemtic Name: 1-(tridecan-7-ylamino)perylene-3,4,9,10-tetracarboxylic acid Openeye Name: 1-(1-hexylheptylamino)perylene-3,4,9,10-tetracarboxylic acid CAS Name: 1-(tridecan-7-ylamino)perylene-3,4,9,10-tetracarboxylic acid IUPAC Name: 1-(tridecan-7-ylamino)perylene-3,4,9,10-tetracarboxylic acid Traditional Name: 1-(1-hexylheptylamino)perylene-3,4,9,10-tetracarboxylic acid Formula: C37H39NO8 MolecularWeight: 625.70746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)NC1=C2C3=CC=C(C4=C(C=CC(=C34)C5=C2C(=C(C=C5)C(=O)O)C(=C1)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC(CCCCCC)NC1=C2C3=CC=C(C4=C(C=CC(=C34)C5=C2C(=C(C=C5)C(=O)O)C(=C1)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C37H39NO8/c1-3-5-7-9-11-20(12-10-8-6-4-2)38-28-19-27(37(45)46)31-26(36(43)44)17-14-22-21-13-16-24(34(39)40)30-25(35(41)42)18-15-23(29(21)30)32(28)33(22)31/h13-20,38H,3-12H2,1-2H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)