3,4,4-trihexoxy-2,5-bis[1-(2-methylbut-3-en-2-yl)indol-3-yl]-6-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 3,4,4-trihexoxy-2,5-bis[1-(2-methylbut-3-en-2-yl)indol-3-yl]-6-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 2,5-bis[1-(1,1-dimethylallyl)indol-3-yl]-3,4,4-trihexoxy-6-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4,4,5-trihexoxy-2-hydroxy-3,6-bis[1-(2-methylbut-3-en-2-yl)-3-indolyl]-1-cyclohexa-2,5-dienone IUPAC Name: 4,4,5-trihexoxy-2-hydroxy-3,6-bis[1-(2-methylbut-3-en-2-yl)indol-3-yl]cyclohexa-2,5-dien-1-one Traditional Name: 2,5-bis[1-(1,1-dimethylallyl)indol-3-yl]-3,4,4-trihexoxy-6-hydroxy-cyclohexa-2,5-dien-1-one Formula: C50H68N2O5 MolecularWeight: 777.08532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=O)C(=C(C1(OCCCCCC)OCCCCCC)C2=CN(C3=CC=CC=C32)C(C)(C)C=C)O)C4=CN(C5=CC=CC=C54)C(C)(C)C=C

Isomeric SMILES

CCCCCCOC1=C(C(=O)C(=C(C1(OCCCCCC)OCCCCCC)C2=CN(C3=CC=CC=C32)C(C)(C)C=C)O)C4=CN(C5=CC=CC=C54)C(C)(C)C=C

InChI

InChI=1S/C50H68N2O5/c1-10-15-18-25-32-55-47-43(39-35-51(48(6,7)13-4)41-30-23-21-28-37(39)41)45(53)46(54)44(40-36-52(49(8,9)14-5)42-31-24-22-29-38(40)42)50(47,56-33-26-19-16-11-2)57-34-27-20-17-12-3/h13-14,21-24,28-31,35-36,54H,4-5,10-12,15-20,25-27,32-34H2,1-3,6-9H3