2-[[3-bromanyl-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]indene-1,3-dione

Systemtic Name: 2-[[3-bromanyl-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]indene-1,3-dione Openeye Name: 2-[[3-bromo-5-ethoxy-4-(1-naphthylmethoxy)phenyl]methylene]indane-1,3-dione CAS Name: 2-[[3-bromo-5-ethoxy-4-(1-naphthalenylmethoxy)phenyl]methylidene]indene-1,3-dione IUPAC Name: 2-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]indene-1,3-dione Traditional Name: 2-[3-bromo-5-ethoxy-4-(1-naphthylmethoxy)benzylidene]indane-1,3-quinone Formula: C29H21BrO4 MolecularWeight: 513.37864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)Br)OCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)Br)OCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H21BrO4/c1-2-33-26-16-18(14-24-27(31)22-12-5-6-13-23(22)28(24)32)15-25(30)29(26)34-17-20-10-7-9-19-8-3-4-11-21(19)20/h3-16H,2,17H2,1H3