1,8-dihexoxy-3-(pyrrolidin-1-ylmethyl)anthracene-9,10-dione

Systemtic Name: 1,8-dihexoxy-3-(pyrrolidin-1-ylmethyl)anthracene-9,10-dione Openeye Name: 1,8-dihexoxy-3-(pyrrolidin-1-ylmethyl)anthracene-9,10-dione CAS Name: 1,8-dihexoxy-3-(1-pyrrolidinylmethyl)anthracene-9,10-dione IUPAC Name: 1,8-dihexoxy-3-(pyrrolidin-1-ylmethyl)anthracene-9,10-dione Traditional Name: 1,8-dihexoxy-3-(pyrrolidinomethyl)-9,10-anthraquinone Formula: C31H41NO4 MolecularWeight: 491.66154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC2=C1C(=O)C3=C(C=C(C=C3C2=O)CN4CCCC4)OCCCCCC

Isomeric SMILES

CCCCCCOC1=CC=CC2=C1C(=O)C3=C(C=C(C=C3C2=O)CN4CCCC4)OCCCCCC

InChI

InChI=1S/C31H41NO4/c1-3-5-7-11-18-35-26-15-13-14-24-28(26)31(34)29-25(30(24)33)20-23(22-32-16-9-10-17-32)21-27(29)36-19-12-8-6-4-2/h13-15,20-21H,3-12,16-19,22H2,1-2H3