(15E)-17-oxidanyl-13,13-bis(phenylsulfonyl)-1-oxacycloheptacos-15-en-2-one

Systemtic Name: (15E)-17-oxidanyl-13,13-bis(phenylsulfonyl)-1-oxacycloheptacos-15-en-2-one Openeye Name: (15E)-13,13-bis(benzenesulfonyl)-17-hydroxy-1-oxacycloheptacos-15-en-2-one CAS Name: (15E)-13,13-bis(benzenesulfonyl)-17-hydroxy-1-oxacycloheptacos-15-en-2-one IUPAC Name: (15E)-13,13-bis(benzenesulfonyl)-17-hydroxy-1-oxacycloheptacos-15-en-2-one Traditional Name: (15E)-13,13-dibesyl-17-hydroxy-1-oxacycloheptacos-15-en-2-one Formula: C38H56O7S2 MolecularWeight: 688.97704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCOC(=O)CCCCCCCCCCC(CC=CC(CCCC1)O)(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCCCOC(=O)CCCCCCCCCCC(C/C=C/C(CCCC1)O)(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C38H56O7S2/c39-34-24-15-9-5-2-4-8-12-22-33-45-37(40)30-20-10-6-1-3-7-11-21-31-38(32-23-25-34,46(41,42)35-26-16-13-17-27-35)47(43,44)36-28-18-14-19-29-36/h13-14,16-19,23,25-29,34,39H,1-12,15,20-22,24,30-33H2/b25-23+