3-butyl-3-ethyl-8-hexoxy-1,1-bis(oxidanylidene)-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol

Systemtic Name: 3-butyl-3-ethyl-8-hexoxy-1,1-bis(oxidanylidene)-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Openeye Name: 3-butyl-3-ethyl-8-hexoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol CAS Name: 3-butyl-3-ethyl-8-hexoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol IUPAC Name: 3-butyl-3-ethyl-8-hexoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Traditional Name: 3-butyl-3-ethyl-8-hexoxy-1,1-diketo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Formula: C28H40O4S MolecularWeight: 472.6798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC2=C(C=C1)C(C(C(CS2(=O)=O)(CC)CCCC)O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC2=C(C=C1)C(C(C(CS2(=O)=O)(CC)CCCC)O)C3=CC=CC=C3

InChI

InChI=1S/C28H40O4S/c1-4-7-9-13-19-32-23-16-17-24-25(20-23)33(30,31)21-28(6-3,18-8-5-2)27(29)26(24)22-14-11-10-12-15-22/h10-12,14-17,20,26-27,29H,4-9,13,18-19,21H2,1-3H3