9-octoxy-4,6-bis(oxidanylidene)-13-propyl-11H-chromeno[7,6-c][2]benzoxepine-2-carboxylic acid

Systemtic Name: 9-octoxy-4,6-bis(oxidanylidene)-13-propyl-11H-chromeno[7,6-c][2]benzoxepine-2-carboxylic acid Openeye Name: 9-octoxy-4,6-dioxo-13-propyl-11H-chromeno[7,6-c][2]benzoxepine-2-carboxylic acid CAS Name: 9-octoxy-4,6-dioxo-13-propyl-11H-[1]benzopyrano[7,6-c][2]benzoxepin-2-carboxylic acid IUPAC Name: 9-octoxy-4,6-dioxo-13-propyl-11H-chromeno[7,6-c][2]benzoxepine-2-carboxylic acid Traditional Name: 4,6-diketo-9-octoxy-13-propyl-11H-chromeno[7,6-c][2]benzoxepin-2-carboxylic acid Formula: C29H32O7 MolecularWeight: 492.56018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)C(=O)C3=C(C(=C4C(=C3)C(=O)C=C(O4)C(=O)O)CCC)OC2

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)C(=O)C3=C(C(=C4C(=C3)C(=O)C=C(O4)C(=O)O)CCC)OC2

InChI

InChI=1S/C29H32O7/c1-3-5-6-7-8-9-13-34-19-11-12-20-18(14-19)17-35-27-21(10-4-2)28-22(15-23(27)26(20)31)24(30)16-25(36-28)29(32)33/h11-12,14-16H,3-10,13,17H2,1-2H3,(H,32,33)