IX 207-887
(2E)-2-(8-methoxy-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-ylidene)acetic acid
Also Known As: 10-Mbctya|IX 207-887|IX-207-887|IX 207,887|IX-207,887|(10-Methoxy-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)acetic acid|(2E)-2-(8-methoxy-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-ylidene)acetic acid|(10-Methoxy-4H-benzo(4,5)cyclohepta(1,2-b)thiophene-4-ylidene)acetic acid|(2Z)-2-(8-Methoxy-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-ylidene)acetic acid|[10-Methoxy-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene]acetic acid|10-Methoxy-4H-benzo[4,5]cyclohepta[1,2-b]thiophene-4-ylidene acetic acid|2-(4-methoxybenzo[1,2]cyclohepta[3,4-b]thiophen-10-ylidene)acetic acid|Acetic acid, (10-methoxy-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-|Acetic acid, (10-methoxy-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-, (E)-|2-{8-methoxy-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-ylidene}acetic acid
| Molecular Formula | C16H12O3S |
|---|---|
| Molecular Weight | 284.05072 g/mol |
| LogP | 3.7223 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.05072 |
| Monoisotopic Mass | 284.05072 |
| Heavy Atoms | 20 |
| Complexity | 737.6852 |
Chemical Identifiers
| CAS Number | 98320-39-9 |
|---|---|
| SMILES | COC1=CC2=CC=CC=C2/C(=C\C(=O)O)/C3=C1SC=C3 |
Product Overview
IX 207-887 (CAS 98320-39-9), with molecular formula C16H12O3S and molecular weight 284.05072 g/mol. IUPAC: (2E)-2-(8-methoxy-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-ylidene)acetic acid.
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