4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-3-methoxy-4-oxidanyl-2-phenyl-cyclobut-2-en-1-one

Systemtic Name: 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-3-methoxy-4-oxidanyl-2-phenyl-cyclobut-2-en-1-one Openeye Name: 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-hydroxy-3-methoxy-2-phenyl-cyclobut-2-en-1-one CAS Name: 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-hydroxy-3-methoxy-2-phenyl-1-cyclobut-2-enone IUPAC Name: 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-hydroxy-3-methoxy-2-phenylcyclobut-2-en-1-one Traditional Name: 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-hydroxy-3-methoxy-2-phenyl-cyclobut-2-en-1-one Formula: C22H22O3S2 MolecularWeight: 398.53828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CSC(SCC2=C1)C3(C(=C(C3=O)C4=CC=CC=C4)OC)O)C

Isomeric SMILES

CC1=C(C=C2CSC(SCC2=C1)C3(C(=C(C3=O)C4=CC=CC=C4)OC)O)C

InChI

InChI=1S/C22H22O3S2/c1-13-9-16-11-26-21(27-12-17(16)10-14(13)2)22(24)19(23)18(20(22)25-3)15-7-5-4-6-8-15/h4-10,21,24H,11-12H2,1-3H3