bis(5,6-dicyclohexyl-1-oxidanyl-cyclohexa-2,4-dien-1-yl)methanone

Systemtic Name: bis(5,6-dicyclohexyl-1-oxidanyl-cyclohexa-2,4-dien-1-yl)methanone Openeye Name: bis(5,6-dicyclohexyl-1-hydroxy-cyclohexa-2,4-dien-1-yl)methanone CAS Name: bis(5,6-dicyclohexyl-1-hydroxy-1-cyclohexa-2,4-dienyl)methanone IUPAC Name: bis(5,6-dicyclohexyl-1-hydroxycyclohexa-2,4-dien-1-yl)methanone Traditional Name: bis(5,6-dicyclohexyl-1-hydroxy-cyclohexa-2,4-dien-1-yl)methanone Formula: C37H54O3 MolecularWeight: 546.82286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2C(=CC=CC2(C(=O)C3(C=CC=C(C3C4CCCCC4)C5CCCCC5)O)O)C6CCCCC6

Isomeric SMILES

C1CCC(CC1)C2C(=CC=CC2(C(=O)C3(C=CC=C(C3C4CCCCC4)C5CCCCC5)O)O)C6CCCCC6

InChI

InChI=1S/C37H54O3/c38-35(36(39)25-13-23-31(27-15-5-1-6-16-27)33(36)29-19-9-3-10-20-29)37(40)26-14-24-32(28-17-7-2-8-18-28)34(37)30-21-11-4-12-22-30/h13-14,23-30,33-34,39-40H,1-12,15-22H2